NP-MRD: Showing NP-Card for n-benzyl-9-[3,4-dimethoxy-5-({[3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxy}methyl)oxolan-2-yl]-n-methylpurin-6-amine (NP0327242)

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Record Information

Version

2.0

Created at

2022-09-12 09:38:05 UTC

Updated at

2022-09-12 09:38:05 UTC

NP-MRD ID

NP0327242

Secondary Accession Numbers

None

Natural Product Identification

Common Name

n-benzyl-9-[3,4-dimethoxy-5-({[3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxy}methyl)oxolan-2-yl]-n-methylpurin-6-amine

Description

N-benzyl-9-[3,4-dimethoxy-5-({[3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxy}methyl)oxolan-2-yl]-N-methyl-9H-purin-6-amine belongs to the class of organic compounds known as purine nucleosides. Purine nucleosides are compounds comprising a purine base attached to a ribosyl or deoxyribosyl moiety. n-benzyl-9-[3,4-dimethoxy-5-({[3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxy}methyl)oxolan-2-yl]-n-methylpurin-6-amine is found in Gerbera jamesonii. N-benzyl-9-[3,4-dimethoxy-5-({[3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxy}methyl)oxolan-2-yl]-N-methyl-9H-purin-6-amine is a strong basic compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1533004161506552D          

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M  END

     RDKit          3D

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M  END


  Mrv1533004161506552D          

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    0.0992   -2.4049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8838   -2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3687   -2.8174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1937   -2.8174    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6062   -3.5319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8838   -3.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387   -4.2695    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5867   -4.8826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387   -1.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6538   -0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387   -0.0305    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    0.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523   -0.2854    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378   -1.5229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    0.9521    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233    1.3646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523    1.3646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0668    0.9521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7812    1.3646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4957    0.9521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4957    0.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7812   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0668    0.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0632   -5.8407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3096   -6.1763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2233   -6.9968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7307   -6.3257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6444   -7.1462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3119   -7.6311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4844   -5.9901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1518   -6.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9055   -6.1395    0.0000 C   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
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 12 15  1  0  0  0  0
  9 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 11 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 18 26  1  0  0  0  0
 21 26  1  0  0  0  0
 22 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 30 35  1  0  0  0  0
  6 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 36 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 39 42  1  0  0  0  0
  4 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0327242

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COCC1OC(OCC2OC(C(OC)C2OC)N2C=NC3=C(N=CN=C23)N(C)CC2=CC=CC=C2)C(OC)C(OC)C1OC

> <INCHI_IDENTIFIER>
InChI=1S/C30H43N5O9/c1-34(13-18-11-9-8-10-12-18)27-21-28(32-16-31-27)35(17-33-21)29-25(40-6)23(38-4)20(43-29)15-42-30-26(41-7)24(39-5)22(37-3)19(44-30)14-36-2/h8-12,16-17,19-20,22-26,29-30H,13-15H2,1-7H3

> <INCHI_KEY>
MQRNLZPXGHSBCH-UHFFFAOYSA-N

> <FORMULA>
C30H43N5O9

> <MOLECULAR_WEIGHT>
617.7

> <EXACT_MASS>
617.306077985

> <JCHEM_ACCEPTOR_COUNT>
13

> <JCHEM_ATOM_COUNT>
87

> <JCHEM_AVERAGE_POLARIZABILITY>
66.14908585578364

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
N-benzyl-9-[3,4-dimethoxy-5-({[3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxy}methyl)oxolan-2-yl]-N-methyl-9H-purin-6-amine

> <ALOGPS_LOGP>
1.76

> <JCHEM_LOGP>
2.658402434666664

> <ALOGPS_LOGS>
-3.44

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
4.744464148324072

> <JCHEM_POLAR_SURFACE_AREA>
129.91000000000003

> <JCHEM_REFRACTIVITY>
158.45689999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
14

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.26e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
N-benzyl-9-[3,4-dimethoxy-5-({[3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxy}methyl)oxolan-2-yl]-N-methylpurin-6-amine

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 16-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   16-APR-15         0                                  
HETATM    1  C   UNK     0      -8.858  -9.302   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      -7.451  -9.929   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      -6.205  -9.024   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -4.798  -9.650   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0      -3.553  -8.745   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0      -2.146  -9.371   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      -0.900  -8.466   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0      -1.061  -6.934   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       0.185  -6.029   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       0.185  -4.489   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       1.650  -4.013   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       2.555  -5.259   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       4.095  -5.259   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       4.865  -6.593   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       1.650  -6.505   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       2.126  -7.970   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       1.095  -9.114   0.000  0.00  0.00           C+0
HETATM   18  N   UNK     0       2.126  -2.549   0.000  0.00  0.00           N+0
HETATM   19  C   UNK     0       1.220  -1.303   0.000  0.00  0.00           C+0
HETATM   20  N   UNK     0       2.126  -0.057   0.000  0.00  0.00           N+0
HETATM   21  C   UNK     0       3.590  -0.533   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       4.924   0.237   0.000  0.00  0.00           C+0
HETATM   23  N   UNK     0       6.258  -0.533   0.000  0.00  0.00           N+0
HETATM   24  C   UNK     0       6.258  -2.073   0.000  0.00  0.00           C+0
HETATM   25  N   UNK     0       4.924  -2.843   0.000  0.00  0.00           N+0
HETATM   26  C   UNK     0       3.590  -2.073   0.000  0.00  0.00           C+0
HETATM   27  N   UNK     0       4.924   1.777   0.000  0.00  0.00           N+0
HETATM   28  C   UNK     0       3.590   2.547   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       6.258   2.547   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       7.591   1.777   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       8.925   2.547   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      10.259   1.777   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      10.259   0.237   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       8.925  -0.533   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       7.591   0.237   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      -1.985 -10.903   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0      -0.578 -11.529   0.000  0.00  0.00           O+0
HETATM   38  C   UNK     0      -0.417 -13.061   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      -3.231 -11.808   0.000  0.00  0.00           C+0
HETATM   40  O   UNK     0      -3.070 -13.339   0.000  0.00  0.00           O+0
HETATM   41  C   UNK     0      -4.316 -14.245   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0      -4.637 -11.182   0.000  0.00  0.00           C+0
HETATM   43  O   UNK     0      -5.883 -12.087   0.000  0.00  0.00           O+0
HETATM   44  C   UNK     0      -7.290 -11.460   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5   42                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7   36                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10   15                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12   18                                                  
CONECT   12   11   13   15                                                  
CONECT   13   12   14                                                       
CONECT   14   13                                                            
CONECT   15   12    9   16                                                  
CONECT   16   15   17                                                       
CONECT   17   16                                                            
CONECT   18   11   19   26                                                  
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22   26                                                  
CONECT   22   21   23   27                                                  
CONECT   23   22   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   18   21                                                  
CONECT   27   22   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27   30                                                       
CONECT   30   29   31   35                                                  
CONECT   31   30   32                                                       
CONECT   32   31   33                                                       
CONECT   33   32   34                                                       
CONECT   34   33   35                                                       
CONECT   35   34   30                                                       
CONECT   36    6   37   39                                                  
CONECT   37   36   38                                                       
CONECT   38   37                                                            
CONECT   39   36   40   42                                                  
CONECT   40   39   41                                                       
CONECT   41   40                                                            
CONECT   42   39    4   43                                                  
CONECT   43   42   44                                                       
CONECT   44   43                                                            
MASTER        0    0    0    0    0    0    0    0   44    0   96    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₀H₄₃N₅O₉

Average Mass

617.7000 Da

Monoisotopic Mass

617.30608 Da

IUPAC Name

N-benzyl-9-[3,4-dimethoxy-5-({[3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxy}methyl)oxolan-2-yl]-N-methyl-9H-purin-6-amine

Traditional Name

N-benzyl-9-[3,4-dimethoxy-5-({[3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxy}methyl)oxolan-2-yl]-N-methylpurin-6-amine

CAS Registry Number

Not Available

SMILES

COCC1OC(OCC2OC(C(OC)C2OC)N2C=NC3=C(N=CN=C23)N(C)CC2=CC=CC=C2)C(OC)C(OC)C1OC

InChI Identifier

InChI=1S/C30H43N5O9/c1-34(13-18-11-9-8-10-12-18)27-21-28(32-16-31-27)35(17-33-21)29-25(40-6)23(38-4)20(43-29)15-42-30-26(41-7)24(39-5)22(37-3)19(44-30)14-36-2/h8-12,16-17,19-20,22-26,29-30H,13-15H2,1-7H3

InChI Key

MQRNLZPXGHSBCH-UHFFFAOYSA-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
Gerbera jamesonii	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as purine nucleosides. Purine nucleosides are compounds comprising a purine base attached to a ribosyl or deoxyribosyl moiety.

Kingdom

Organic compounds

Super Class

Nucleosides, nucleotides, and analogues

Class

Purine nucleosides

Sub Class

Not Available

Direct Parent

Purine nucleosides

Alternative Parents

Substituents

Purine nucleoside
Disaccharide
Glycosyl compound
N-glycosyl compound
O-glycosyl compound
6-alkylaminopurine
6-aminopurine
Imidazopyrimidine
Purine
Benzylamine
Dialkylarylamine
Aminopyrimidine
Monocyclic benzene moiety
N-substituted imidazole
Oxane
Imidolactam
Benzenoid
Pyrimidine
Tetrahydrofuran
Imidazole
Heteroaromatic compound
Azole
Organoheterocyclic compound
Acetal
Azacycle
Oxacycle
Ether
Dialkyl ether
Organonitrogen compound
Organopnictogen compound
Organooxygen compound
Organic oxygen compound
Hydrocarbon derivative
Organic nitrogen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic 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
logP	1.76	ALOGPS
logP	2.66	ChemAxon
logS	-3.4	ALOGPS
pKa (Strongest Basic)	4.74	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	13	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	129.91 Å²	ChemAxon
Rotatable Bond Count	14	ChemAxon
Refractivity	158.46 m³·mol⁻¹	ChemAxon
Polarizability	66.15 Å³	ChemAxon
Number of Rings	5	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	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

14779581

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for n-benzyl-9-[3,4-dimethoxy-5-({[3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxy}methyl)oxolan-2-yl]-n-methylpurin-6-amine (NP0327242)

MOL for NP0327242 (n-benzyl-9-[3,4-dimethoxy-5-({[3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxy}methyl)oxolan-2-yl]-n-methylpurin-6-amine)

3D MOL for NP0327242 (n-benzyl-9-[3,4-dimethoxy-5-({[3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxy}methyl)oxolan-2-yl]-n-methylpurin-6-amine)

3D SDF for NP0327242 (n-benzyl-9-[3,4-dimethoxy-5-({[3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxy}methyl)oxolan-2-yl]-n-methylpurin-6-amine)

3D-SDF for NP0327242 (n-benzyl-9-[3,4-dimethoxy-5-({[3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxy}methyl)oxolan-2-yl]-n-methylpurin-6-amine)

PDB for NP0327242 (n-benzyl-9-[3,4-dimethoxy-5-({[3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxy}methyl)oxolan-2-yl]-n-methylpurin-6-amine)

3D PDB for NP0327242 (n-benzyl-9-[3,4-dimethoxy-5-({[3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxy}methyl)oxolan-2-yl]-n-methylpurin-6-amine)

SMILES for NP0327242 (n-benzyl-9-[3,4-dimethoxy-5-({[3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxy}methyl)oxolan-2-yl]-n-methylpurin-6-amine)

INCHI for NP0327242 (n-benzyl-9-[3,4-dimethoxy-5-({[3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxy}methyl)oxolan-2-yl]-n-methylpurin-6-amine)

Structure for NP0327242 (n-benzyl-9-[3,4-dimethoxy-5-({[3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxy}methyl)oxolan-2-yl]-n-methylpurin-6-amine)

3D Structure for NP0327242 (n-benzyl-9-[3,4-dimethoxy-5-({[3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxy}methyl)oxolan-2-yl]-n-methylpurin-6-amine)