NP-MRD: Showing NP-Card for Glycerol 1,2-di-(9Z-octadecenoate) (NP0333829)

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Record Information

Version

2.0

Created at

2024-09-09 20:43:49 UTC

Updated at

2024-09-09 20:43:49 UTC

NP-MRD ID

NP0333829

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Glycerol 1,2-di-(9Z-octadecenoate)

Description

Emulsifier, stabiliser, wetting agent and lubricant

Structure

MOL SDF PDB SMILES InChI


  Mrv2104 05242323162D          

 48 47  0  0  0  0            999 V2000
  -11.1888    8.9349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9598   -1.3776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4743    8.5224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2453   -0.9651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4743    7.6974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2453   -0.1401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7599    7.2849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5309    0.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7599    6.4599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5309    1.0974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0454    6.0474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8164    1.5099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0454    5.2224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8164    2.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3309    4.8099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1019    2.7474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3309    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1019    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6164    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3874    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9020    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6730    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1875    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9585    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4730    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2440    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7586    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5296    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0441    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8151    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3296    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1006    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6151    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3862    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2427    4.8099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4717    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2427    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9007    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6717    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9572    5.2224    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9007    2.7474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6717    4.8099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1862    3.9849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9572    3.5724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0454    3.5724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8164    3.9849    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6164    2.7474    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3874    4.8099    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
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 19 21  1  0  0  0  0
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 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 30  1  0  0  0  0
 29 31  1  0  0  0  0
 30 32  1  0  0  0  0
 31 33  1  0  0  0  0
 32 34  1  0  0  0  0
 33 38  1  0  0  0  0
 34 39  1  0  0  0  0
 35 37  1  0  0  0  0
 35 40  1  0  0  0  0
 36 37  1  0  0  0  0
 36 43  1  0  0  0  0
 37 44  1  0  0  0  0
 38 41  2  0  0  0  0
 38 43  1  0  0  0  0
 39 42  2  0  0  0  0
 39 44  1  0  0  0  0
M  END


  Mrv2104 05242323162D          

 48 47  0  0  0  0            999 V2000
  -11.1888    8.9349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9598   -1.3776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4743    8.5224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2453   -0.9651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4743    7.6974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2453   -0.1401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7599    7.2849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5309    0.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7599    6.4599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5309    1.0974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0454    6.0474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8164    1.5099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0454    5.2224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8164    2.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3309    4.8099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1019    2.7474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3309    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1019    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6164    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3874    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9020    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6730    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1875    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9585    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4730    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2440    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7586    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5296    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0441    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8151    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3296    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1006    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6151    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3862    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2427    4.8099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4717    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2427    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9007    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6717    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9572    5.2224    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9007    2.7474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6717    4.8099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1862    3.9849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9572    3.5724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0454    3.5724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8164    3.9849    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6164    2.7474    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3874    4.8099    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 45  1  0  0  0  0
 17 19  2  0  0  0  0
 18 46  1  0  0  0  0
 18 20  2  0  0  0  0
 19 47  1  0  0  0  0
 19 21  1  0  0  0  0
 20 48  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 30  1  0  0  0  0
 29 31  1  0  0  0  0
 30 32  1  0  0  0  0
 31 33  1  0  0  0  0
 32 34  1  0  0  0  0
 33 38  1  0  0  0  0
 34 39  1  0  0  0  0
 35 37  1  0  0  0  0
 35 40  1  0  0  0  0
 36 37  1  0  0  0  0
 36 43  1  0  0  0  0
 37 44  1  0  0  0  0
 38 41  2  0  0  0  0
 38 43  1  0  0  0  0
 39 42  2  0  0  0  0
 39 44  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0333829

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H]\C(CCCCCCCC)=C(/[H])CCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCC\C([H])=C(\[H])CCCCCCCC

> <INCHI_IDENTIFIER>
InChI=1/C39H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,37,40H,3-16,21-36H2,1-2H3/b19-17-,20-18-

> <INCHI_KEY>
AFSHUZFNMVJNKX-CLFAGFIQNA-N

> <FORMULA>
C39H72O5

> <MOLECULAR_WEIGHT>
621.0

> <EXACT_MASS>
620.537975418

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
116

> <JCHEM_AVERAGE_POLARIZABILITY>
81.13583102970028

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1-hydroxy-3-[(9Z)-octadec-9-enoyloxy]propan-2-yl (9Z)-octadec-9-enoate

> <JCHEM_LOGP>
13.057525128666665

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
14.577784010572556

> <JCHEM_PKA_STRONGEST_BASIC>
-2.983477273775563

> <JCHEM_POLAR_SURFACE_AREA>
72.83

> <JCHEM_REFRACTIVITY>
188.33610000000007

> <JCHEM_ROTATABLE_BOND_COUNT>
36

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
1,2-diolein

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 24-MAY-23   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-MAY-23         0                                  
HETATM    1  C   UNK     0     -20.886  16.678   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      20.458  -2.572   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0     -19.552  15.908   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      19.125  -1.802   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0     -19.552  14.368   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      19.125  -0.262   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0     -18.218  13.598   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      17.791   0.508   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0     -18.218  12.058   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      17.791   2.048   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0     -16.885  11.288   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      16.457   2.818   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0     -16.885   9.748   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      16.457   4.358   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0     -15.551   8.978   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      15.124   5.128   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0     -15.551   7.438   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      15.124   6.668   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0     -14.217   6.668   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      13.790   7.438   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0     -12.884   7.438   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      12.456   6.668   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0     -11.550   6.668   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      11.123   7.438   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0     -10.216   7.438   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       9.789   6.668   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -8.883   6.668   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       8.455   7.438   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      -7.549   7.438   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       7.122   6.668   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      -6.215   6.668   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       5.788   7.438   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      -4.882   7.438   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       4.454   6.668   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       0.453   8.978   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      -0.881   6.668   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       0.453   7.438   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      -3.548   6.668   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       3.120   7.438   0.000  0.00  0.00           C+0
HETATM   40  O   UNK     0       1.787   9.748   0.000  0.00  0.00           O+0
HETATM   41  O   UNK     0      -3.548   5.128   0.000  0.00  0.00           O+0
HETATM   42  O   UNK     0       3.120   8.978   0.000  0.00  0.00           O+0
HETATM   43  O   UNK     0      -2.214   7.438   0.000  0.00  0.00           O+0
HETATM   44  O   UNK     0       1.787   6.668   0.000  0.00  0.00           O+0
HETATM   45  H   UNK     0     -16.885   6.668   0.000  0.00  0.00           H+0
HETATM   46  H   UNK     0      16.457   7.438   0.000  0.00  0.00           H+0
HETATM   47  H   UNK     0     -14.217   5.128   0.000  0.00  0.00           H+0
HETATM   48  H   UNK     0      13.790   8.978   0.000  0.00  0.00           H+0
CONECT    1    3                                                            
CONECT    2    4                                                            
CONECT    3    1    5                                                       
CONECT    4    2    6                                                       
CONECT    5    3    7                                                       
CONECT    6    4    8                                                       
CONECT    7    5    9                                                       
CONECT    8    6   10                                                       
CONECT    9    7   11                                                       
CONECT   10    8   12                                                       
CONECT   11    9   13                                                       
CONECT   12   10   14                                                       
CONECT   13   11   15                                                       
CONECT   14   12   16                                                       
CONECT   15   13   17                                                       
CONECT   16   14   18                                                       
CONECT   17   15   45   19                                                  
CONECT   18   16   46   20                                                  
CONECT   19   17   47   21                                                  
CONECT   20   18   48   22                                                  
CONECT   21   19   23                                                       
CONECT   22   20   24                                                       
CONECT   23   21   25                                                       
CONECT   24   22   26                                                       
CONECT   25   23   27                                                       
CONECT   26   24   28                                                       
CONECT   27   25   29                                                       
CONECT   28   26   30                                                       
CONECT   29   27   31                                                       
CONECT   30   28   32                                                       
CONECT   31   29   33                                                       
CONECT   32   30   34                                                       
CONECT   33   31   38                                                       
CONECT   34   32   39                                                       
CONECT   35   37   40                                                       
CONECT   36   37   43                                                       
CONECT   37   35   36   44                                                  
CONECT   38   33   41   43                                                  
CONECT   39   34   42   44                                                  
CONECT   40   35                                                            
CONECT   41   38                                                            
CONECT   42   39                                                            
CONECT   43   36   38                                                       
CONECT   44   37   39                                                       
CONECT   45   17                                                            
CONECT   46   18                                                            
CONECT   47   19                                                            
CONECT   48   20                                                            
MASTER        0    0    0    0    0    0    0    0   48    0   94    0
END

View in JSmol

Synonyms

Value	Source
1,2-Di-(9Z-octadecenoyl)-glycerol	ChEBI
1,2-Diolein	ChEBI
9-Octadecenoic acid (Z)-, 1-(hydroxymethyl)-1,2-ethanediyl ester	ChEBI
9-Octadecenoate (Z)-, 1-(hydroxymethyl)-1,2-ethanediyl ester	Generator
Glycerol 1,2-di-(9Z-octadecenoic acid)	Generator

Chemical Formula

C₃₉H₇₂O₅

Average Mass

621.0000 Da

Monoisotopic Mass

620.53798 Da

IUPAC Name

1-hydroxy-3-[(9Z)-octadec-9-enoyloxy]propan-2-yl (9Z)-octadec-9-enoate

Traditional Name

1,2-diolein

CAS Registry Number

Not Available

SMILES

[H]\C(CCCCCCCC)=C(/[H])CCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCC\C([H])=C(\[H])CCCCCCCC

InChI Identifier

InChI=1/C39H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,37,40H,3-16,21-36H2,1-2H3/b19-17-,20-18-

InChI Key

AFSHUZFNMVJNKX-CLFAGFIQNA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Not Available

Chemical Taxonomy

Classification

Not classified

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	13.06	ChemAxon
pKa (Strongest Acidic)	14.58	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	72.83 Å²	ChemAxon
Rotatable Bond Count	36	ChemAxon
Refractivity	188.34 m³·mol⁻¹	ChemAxon
Polarizability	81.14 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

Not Available

PDB ID

Not Available

ChEBI ID

52323

Good Scents ID

Not Available

References

General References

Showing NP-Card for Glycerol 1,2-di-(9Z-octadecenoate) (NP0333829)

MOL for NP0333829 (Glycerol 1,2-di-(9Z-octadecenoate))

3D MOL for NP0333829 (Glycerol 1,2-di-(9Z-octadecenoate))

3D SDF for NP0333829 (Glycerol 1,2-di-(9Z-octadecenoate))

3D-SDF for NP0333829 (Glycerol 1,2-di-(9Z-octadecenoate))

PDB for NP0333829 (Glycerol 1,2-di-(9Z-octadecenoate))

3D PDB for NP0333829 (Glycerol 1,2-di-(9Z-octadecenoate))

SMILES for NP0333829 (Glycerol 1,2-di-(9Z-octadecenoate))

INCHI for NP0333829 (Glycerol 1,2-di-(9Z-octadecenoate))

Structure for NP0333829 (Glycerol 1,2-di-(9Z-octadecenoate))

3D Structure for NP0333829 (Glycerol 1,2-di-(9Z-octadecenoate))