NP-MRD: Showing NP-Card for (1s,4r)-2-amino-3-{[(2r,3r,6s)-3-amino-6-(1-aminoethyl)oxan-2-yl]oxy}-6-methoxy-5-(methylamino)cyclohexane-1,4-diol (NP0202911)

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Record Information

Version

2.0

Created at

2022-09-04 22:14:10 UTC

Updated at

2022-09-04 22:14:10 UTC

NP-MRD ID

NP0202911

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1s,4r)-2-amino-3-{[(2r,3r,6s)-3-amino-6-(1-aminoethyl)oxan-2-yl]oxy}-6-methoxy-5-(methylamino)cyclohexane-1,4-diol

Description

(1S,4R)-2-amino-3-{[(2R,3R,6S)-3-amino-6-(1-aminoethyl)oxan-2-yl]oxy}-6-methoxy-5-(methylamino)cyclohexane-1,4-diol belongs to the class of organic compounds known as aminocyclitol glycosides. These are organic compounds containing an amicocyclitol moiety glycosidically linked to a carbohydrate moiety. There are two major classes of aminoglycosides containing a 2-streptamine core. They are called 4,5- and 4,6-disubstituted 2-deoxystreptamines. (1s,4r)-2-amino-3-{[(2r,3r,6s)-3-amino-6-(1-aminoethyl)oxan-2-yl]oxy}-6-methoxy-5-(methylamino)cyclohexane-1,4-diol is found in Streptomyces tenjimariensis. Based on a literature review very few articles have been published on (1S,4R)-2-amino-3-{[(2R,3R,6S)-3-amino-6-(1-aminoethyl)oxan-2-yl]oxy}-6-methoxy-5-(methylamino)cyclohexane-1,4-diol.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 56 57  0  0  0  0  0  0  0  0999 V2000
    4.0373   -2.6872   -0.3491 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7517   -1.6118    0.6003 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7659   -0.7178   -0.0179 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4674    0.5606   -0.3565 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.3446    0.8595    0.7113 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6679    0.8607    0.2476 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5216    1.7100   -0.4655 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9264    2.4606   -1.6085 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1114    1.3207   -0.7352 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.2969    2.5056   -0.8613 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5444    0.3218    0.2327 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2934   -0.4893   -0.5661 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5931   -0.4966    0.0424 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1666    0.6870   -0.5278 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4927    0.8377   -0.3306 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.0049    1.0922    1.0513 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.0838   -0.1191    1.9638 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4817    1.4021    0.8884 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2688   -0.3432   -0.9614 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2235   -1.2496   -1.5707 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3020   -1.6902   -0.4040 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4184   -2.7073   -1.0014 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6066   -0.4834    0.8836 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0863    0.2082    2.0460 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2015   -2.2154   -1.3628 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0209   -3.1158   -0.0236 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3008   -3.4868   -0.3607 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2973   -1.9982    1.4748 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3803   -1.2196   -0.9482 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0689    0.4385   -1.3046 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8204    1.5792   -0.5803 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0417   -0.1271   -0.0134 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2872    1.2995    1.0958 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6114    2.4515    0.3779 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9174    1.7594   -2.3389 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1235    0.8756   -1.7908 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5441    3.1752   -0.1273 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2789    2.8369   -1.8310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1010    0.8069    1.0354 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4042   -0.2073    1.0629 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8053    1.7191   -0.9347 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5832    1.9264    1.5719 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1976   -0.6705    2.1618 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0159   -0.7434    1.7511 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3772    0.3440    2.9763 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6488    2.3990    1.1247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7932    1.1230   -0.0456 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9310    0.0075   -1.7821 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8528   -0.9084   -0.2509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6275   -2.1093   -2.1136 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6099   -0.6086   -2.2549 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9388   -2.1602    0.3377 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5546   -2.7426   -0.3994 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0929   -2.2888   -1.9284 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2007   -1.4725    1.2241 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6395    1.1019    2.1043 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3 23  1  0
 23 24  1  0
 23 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 15 16  1  0
 16 17  1  0
 16 18  1  0
 11  9  1  0
  9 10  1  0
  9  7  1  0
  7  8  1  0
  7  4  1  0
  4  5  1  0
  5  6  1  0
  4  3  1  0
 21 13  1  0
  1 25  1  0
  1 26  1  0
  1 27  1  0
  2 28  1  0
  3 29  1  6
 23 55  1  1
 24 56  1  0
 11 39  1  1
 13 40  1  1
 15 41  1  6
 19 48  1  0
 19 49  1  0
 20 50  1  0
 20 51  1  0
 21 52  1  1
 22 53  1  0
 22 54  1  0
 16 42  1  1
 17 43  1  0
 17 44  1  0
 17 45  1  0
 18 46  1  0
 18 47  1  0
  9 36  1  6
 10 37  1  0
 10 38  1  0
  7 34  1  1
  8 35  1  0
  4 30  1  6
  6 31  1  0
  6 32  1  0
  6 33  1  0
M  END


  Mrv1652309052200142D          

 24 25  0  0  1  0            999 V2000
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  6  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13 12  1  1  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  6  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 15 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 13 21  1  0  0  0  0
 21 22  1  1  0  0  0
 11 23  1  0  0  0  0
  3 23  1  0  0  0  0
 23 24  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0202911

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CNC1[C@@H](O)C(O[C@H]2O[C@@H](CC[C@H]2N)C(C)N)C(N)[C@H](O)C1OC

> <INCHI_IDENTIFIER>
InChI=1S/C15H32N4O5/c1-6(16)8-5-4-7(17)15(23-8)24-13-9(18)11(20)14(22-3)10(19-2)12(13)21/h6-15,19-21H,4-5,16-18H2,1-3H3/t6?,7-,8+,9?,10?,11+,12-,13?,14?,15-/m1/s1

> <INCHI_KEY>
WFMQYKIRAVMXSU-GCABRAMFSA-N

> <FORMULA>
C15H32N4O5

> <MOLECULAR_WEIGHT>
348.444

> <EXACT_MASS>
348.237270146

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
56

> <JCHEM_AVERAGE_POLARIZABILITY>
37.14001978614133

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1S,4R)-2-amino-3-{[(2R,3R,6S)-3-amino-6-(1-aminoethyl)oxan-2-yl]oxy}-6-methoxy-5-(methylamino)cyclohexane-1,4-diol

> <JCHEM_LOGP>
-2.650098268333333

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
4

> <JCHEM_PKA>
13.785304751651715

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.170358269301932

> <JCHEM_PKA_STRONGEST_BASIC>
9.880505547493

> <JCHEM_POLAR_SURFACE_AREA>
158.23999999999998

> <JCHEM_REFRACTIVITY>
86.3479

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(1S,4R)-2-amino-3-{[(2R,3R,6S)-3-amino-6-(1-aminoethyl)oxan-2-yl]oxy}-6-methoxy-5-(methylamino)cyclohexane-1,4-diol

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 05-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   05-SEP-22         0                                  
HETATM    1  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    2  N   UNK     0      -1.334  -0.770   0.000  0.00  0.00           N+0
HETATM    3  C   UNK     0      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -2.667  -3.080   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0      -4.001  -2.310   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0      -4.001  -0.770   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -2.667  -4.620   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      -4.001  -5.390   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0      -1.334  -5.390   0.000  0.00  0.00           C+0
HETATM   10  N   UNK     0      -1.334  -6.930   0.000  0.00  0.00           N+0
HETATM   11  C   UNK     0       0.000  -4.620   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       1.334  -5.390   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       2.667  -4.620   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       2.667  -3.080   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM   18  N   UNK     0       5.335   0.000   0.000  0.00  0.00           N+0
HETATM   19  C   UNK     0       5.335  -3.080   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       5.335  -4.620   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       4.001  -5.390   0.000  0.00  0.00           C+0
HETATM   22  N   UNK     0       4.001  -6.930   0.000  0.00  0.00           N+0
HETATM   23  C   UNK     0       0.000  -3.080   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0       1.334  -2.310   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   23                                                  
CONECT    4    3    5    7                                                  
CONECT    5    4    6                                                       
CONECT    6    5                                                            
CONECT    7    4    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12   23                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14   21                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16   19                                                  
CONECT   16   15   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16                                                            
CONECT   19   15   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   13   22                                                  
CONECT   22   21                                                            
CONECT   23   11    3   24                                                  
CONECT   24   23                                                            
MASTER        0    0    0    0    0    0    0    0   24    0   50    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₅H₃₂N₄O₅

Average Mass

348.4440 Da

Monoisotopic Mass

348.23727 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

CNC1[C@@H](O)C(O[C@H]2O[C@@H](CC[C@H]2N)C(C)N)C(N)[C@H](O)C1OC

InChI Identifier

InChI=1S/C15H32N4O5/c1-6(16)8-5-4-7(17)15(23-8)24-13-9(18)11(20)14(22-3)10(19-2)12(13)21/h6-15,19-21H,4-5,16-18H2,1-3H3/t6?,7-,8+,9?,10?,11+,12-,13?,14?,15-/m1/s1

InChI Key

WFMQYKIRAVMXSU-GCABRAMFSA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Streptomyces tenjimariensis	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as aminocyclitol glycosides. These are organic compounds containing an amicocyclitol moiety glycosidically linked to a carbohydrate moiety. There are two major classes of aminoglycosides containing a 2-streptamine core. They are called 4,5- and 4,6-disubstituted 2-deoxystreptamines.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Aminocyclitol glycosides

Alternative Parents

Substituents

Amino cyclitol glycoside
Aminocyclitol or derivatives
Cyclohexylamine
Cyclohexanol
Oxane
Cyclitol or derivatives
Cyclic alcohol
Secondary alcohol
1,2-aminoalcohol
Oxacycle
Organoheterocyclic compound
Secondary amine
Ether
Secondary aliphatic amine
Dialkyl ether
Acetal
Organic nitrogen compound
Organopnictogen compound
Hydrocarbon derivative
Primary amine
Organonitrogen compound
Primary aliphatic amine
Amine
Alcohol
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

Not Available

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

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

162954771

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (1s,4r)-2-amino-3-{[(2r,3r,6s)-3-amino-6-(1-aminoethyl)oxan-2-yl]oxy}-6-methoxy-5-(methylamino)cyclohexane-1,4-diol (NP0202911)

MOL for NP0202911 ((1s,4r)-2-amino-3-{[(2r,3r,6s)-3-amino-6-(1-aminoethyl)oxan-2-yl]oxy}-6-methoxy-5-(methylamino)cyclohexane-1,4-diol)

3D MOL for NP0202911 ((1s,4r)-2-amino-3-{[(2r,3r,6s)-3-amino-6-(1-aminoethyl)oxan-2-yl]oxy}-6-methoxy-5-(methylamino)cyclohexane-1,4-diol)

3D SDF for NP0202911 ((1s,4r)-2-amino-3-{[(2r,3r,6s)-3-amino-6-(1-aminoethyl)oxan-2-yl]oxy}-6-methoxy-5-(methylamino)cyclohexane-1,4-diol)

3D-SDF for NP0202911 ((1s,4r)-2-amino-3-{[(2r,3r,6s)-3-amino-6-(1-aminoethyl)oxan-2-yl]oxy}-6-methoxy-5-(methylamino)cyclohexane-1,4-diol)

PDB for NP0202911 ((1s,4r)-2-amino-3-{[(2r,3r,6s)-3-amino-6-(1-aminoethyl)oxan-2-yl]oxy}-6-methoxy-5-(methylamino)cyclohexane-1,4-diol)

3D PDB for NP0202911 ((1s,4r)-2-amino-3-{[(2r,3r,6s)-3-amino-6-(1-aminoethyl)oxan-2-yl]oxy}-6-methoxy-5-(methylamino)cyclohexane-1,4-diol)

SMILES for NP0202911 ((1s,4r)-2-amino-3-{[(2r,3r,6s)-3-amino-6-(1-aminoethyl)oxan-2-yl]oxy}-6-methoxy-5-(methylamino)cyclohexane-1,4-diol)

INCHI for NP0202911 ((1s,4r)-2-amino-3-{[(2r,3r,6s)-3-amino-6-(1-aminoethyl)oxan-2-yl]oxy}-6-methoxy-5-(methylamino)cyclohexane-1,4-diol)

Structure for NP0202911 ((1s,4r)-2-amino-3-{[(2r,3r,6s)-3-amino-6-(1-aminoethyl)oxan-2-yl]oxy}-6-methoxy-5-(methylamino)cyclohexane-1,4-diol)

3D Structure for NP0202911 ((1s,4r)-2-amino-3-{[(2r,3r,6s)-3-amino-6-(1-aminoethyl)oxan-2-yl]oxy}-6-methoxy-5-(methylamino)cyclohexane-1,4-diol)