NP-MRD: Showing NP-Card for methyl 7-[3-amino-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-2-imino-1h-pyrrolo[2,3-d]pyrimidine-5-carboxylate (NP0315531)

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Record Information

Version

2.0

Created at

2022-09-11 14:12:21 UTC

Updated at

2022-09-11 14:12:21 UTC

NP-MRD ID

NP0315531

Secondary Accession Numbers

None

Natural Product Identification

Common Name

methyl 7-[3-amino-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-2-imino-1h-pyrrolo[2,3-d]pyrimidine-5-carboxylate

Description

Methyl 7-[3-amino-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-2-imino-1H,2H,7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate belongs to the class of organic compounds known as glycosylamines. Glycosylamines are compounds consisting of an amine with a beta-N-glycosidic bond to a carbohydrate, thus forming a cyclic hemiaminal ether bond (alpha-amino ether). Methyl 7-[3-amino-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-2-imino-1H,2H,7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate is a very strong basic compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 41 43  0  0  0  0  0  0  0  0999 V2000
   -4.5198   -3.5959    0.0529 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3375   -2.8266    0.0968 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4366   -1.4360    0.1473 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5779   -0.9540    0.1505 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2449   -0.6263    0.1928 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9300   -1.0913    0.1923 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0781   -0.0594    0.2417 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3646   -0.0517    0.2605 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9103   -1.3048    0.4109 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2214   -1.2356    0.0260 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.0614   -1.0209    1.2747 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8420   -2.0963    2.1119 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3955   -0.0332   -0.8629 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.0444   -0.3053   -2.0396 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9429    0.3841   -1.0786 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3495   -0.4248   -2.1113 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8158    1.0768    0.2748 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4577    2.3757    0.3279 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3494    3.3914    0.3544 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8344    4.7002    0.4099 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6360    3.0766    0.3262 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0585    1.7795    0.2723 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2864    1.5328    0.2474 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1555    0.7428    0.2451 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0439   -3.3430   -0.8802 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1097   -3.3069    0.9617 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2685   -4.6725    0.1497 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6581   -2.1319    0.1568 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880    0.6088    1.0330 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5678   -2.1153   -0.5357 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1569   -0.9544    1.0176 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8057   -0.0409    1.7269 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7981   -1.8788    3.0633 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8576    0.8173   -0.2872 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6137    0.0562   -2.8499 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8445    1.4602   -1.2480 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3472   -0.6334   -1.9681 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5235   -0.0654   -3.0693 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7747    5.1928    1.3122 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5171    5.1651   -0.4524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3447    3.8443    0.3458 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 10 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
  7 17  1  0
 17 24  2  0
 24 22  1  0
 22 23  2  0
 22 21  1  0
 21 19  1  0
 19 20  1  0
 19 18  2  0
 24  5  1  0
 15  8  1  0
 18 17  1  0
  1 25  1  0
  1 26  1  0
  1 27  1  0
  6 28  1  0
  8 29  1  1
 10 30  1  6
 11 31  1  0
 11 32  1  0
 12 33  1  0
 13 34  1  1
 14 35  1  0
 15 36  1  6
 16 37  1  0
 16 38  1  0
 21 41  1  0
 20 39  1  0
 20 40  1  0
M  END


  Mrv1533004181502522D          

 24 26  0  0  0  0            999 V2000
    1.1809   -3.5477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4358   -2.7631    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
    0.0768   -2.3215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387   -1.3654    0.0000 C   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
    0.8838    0.7541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0992    1.0091    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0992    1.8341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5683    2.3190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3220    1.9834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8838    2.0890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387    2.8736    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3687    1.4216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1937    1.4216    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 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0668    0.1271    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523   -1.1104    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378   -1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378   -2.3479    0.0000 O   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
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  2  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
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
  8 15  1  0  0  0  0
 15 16  1  0  0  0  0
  7 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
  5 24  1  0  0  0  0
 17 24  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0315531

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC(=O)C1=CN(C2OC(CO)C(O)C2N)C2=C1C(=O)NC(N)=N2

> <INCHI_IDENTIFIER>
InChI=1S/C13H17N5O6/c1-23-12(22)4-2-18(9-6(4)10(21)17-13(15)16-9)11-7(14)8(20)5(3-19)24-11/h2,5,7-8,11,19-20H,3,14H2,1H3,(H3,15,16,17,21)

> <INCHI_KEY>
QWNZVVVRBSCSCW-UHFFFAOYSA-N

> <FORMULA>
C13H17N5O6

> <MOLECULAR_WEIGHT>
339.308

> <EXACT_MASS>
339.117883287

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
41

> <JCHEM_AVERAGE_POLARIZABILITY>
32.54777745557761

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
methyl 2-amino-7-[3-amino-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-3H,4H,7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate

> <ALOGPS_LOGP>
-1.68

> <JCHEM_LOGP>
-1.997119218666667

> <ALOGPS_LOGS>
-1.62

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
13.376900148764499

> <JCHEM_PKA_STRONGEST_ACIDIC>
10.847290246536321

> <JCHEM_PKA_STRONGEST_BASIC>
8.05226150792781

> <JCHEM_POLAR_SURFACE_AREA>
174.42

> <JCHEM_REFRACTIVITY>
80.47989999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
8.20e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
methyl 2-amino-7-[3-amino-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidine-5-carboxylate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 18-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   18-APR-15         0                                  
HETATM    1  C   UNK     0       2.204  -6.622   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       2.680  -5.158   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       1.650  -4.013   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0       0.143  -4.334   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       2.126  -2.549   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       1.220  -1.303   0.000  0.00  0.00           C+0
HETATM    7  N   UNK     0       2.126  -0.057   0.000  0.00  0.00           N+0
HETATM    8  C   UNK     0       1.650   1.408   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       0.185   1.884   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       0.185   3.424   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -1.061   4.329   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      -2.468   3.702   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       1.650   3.899   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       2.126   5.364   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       2.555   2.654   0.000  0.00  0.00           C+0
HETATM   16  N   UNK     0       4.095   2.654   0.000  0.00  0.00           N+0
HETATM   17  C   UNK     0       3.590  -0.533   0.000  0.00  0.00           C+0
HETATM   18  N   UNK     0       4.924   0.237   0.000  0.00  0.00           N+0
HETATM   19  C   UNK     0       6.258  -0.533   0.000  0.00  0.00           C+0
HETATM   20  N   UNK     0       7.591   0.237   0.000  0.00  0.00           N+0
HETATM   21  N   UNK     0       6.258  -2.073   0.000  0.00  0.00           N+0
HETATM   22  C   UNK     0       4.924  -2.843   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       4.924  -4.383   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0       3.590  -2.073   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6   24                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8   17                                                  
CONECT    8    7    9   15                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11   13                                                  
CONECT   11   10   12                                                       
CONECT   12   11                                                            
CONECT   13   10   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13    8   16                                                  
CONECT   16   15                                                            
CONECT   17    7   18   24                                                  
CONECT   18   17   19                                                       
CONECT   19   18   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19   22                                                       
CONECT   22   21   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22    5   17                                                  
MASTER        0    0    0    0    0    0    0    0   24    0   52    0
END

View in JSmol

Synonyms

Value	Source
Methyl 7-[3-amino-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-2-imino-1H,2H,7H-pyrrolo[2,3-D]pyrimidine-5-carboxylic acid	Generator

Chemical Formula

C₁₃H₁₇N₅O₆

Average Mass

339.3080 Da

Monoisotopic Mass

339.11788 Da

IUPAC Name

methyl 2-amino-7-[3-amino-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-3H,4H,7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate

Traditional Name

methyl 2-amino-7-[3-amino-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidine-5-carboxylate

CAS Registry Number

Not Available

SMILES

COC(=O)C1=CN(C2OC(CO)C(O)C2N)C2=C1C(=O)NC(N)=N2

InChI Identifier

InChI=1S/C13H17N5O6/c1-23-12(22)4-2-18(9-6(4)10(21)17-13(15)16-9)11-7(14)8(20)5(3-19)24-11/h2,5,7-8,11,19-20H,3,14H2,1H3,(H3,15,16,17,21)

InChI Key

QWNZVVVRBSCSCW-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

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as glycosylamines. Glycosylamines are compounds consisting of an amine with a beta-N-glycosidic bond to a carbohydrate, thus forming a cyclic hemiaminal ether bond (alpha-amino ether).

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Glycosylamines

Alternative Parents

Substituents

N-glycosyl compound
Pyrrolopyrimidine
Pyrrolo[2,3-d]pyrimidine
Pyrrole-3-carboxylic acid or derivatives
Aminopyrimidine
Pyrimidone
Pyrimidine
Substituted pyrrole
Heteroaromatic compound
Pyrrole
Tetrahydrofuran
Methyl ester
Vinylogous amide
Secondary alcohol
Amino acid or derivatives
1,2-aminoalcohol
Carboxylic acid ester
Lactam
Organoheterocyclic compound
Oxacycle
Azacycle
Carboxylic acid derivative
Monocarboxylic acid or derivatives
Organopnictogen compound
Primary aliphatic amine
Organonitrogen compound
Organic nitrogen compound
Primary alcohol
Primary amine
Organic oxide
Amine
Alcohol
Hydrocarbon derivative
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	-1.7	ALOGPS
logP	-2	ChemAxon
logS	-1.6	ALOGPS
pKa (Strongest Acidic)	10.85	ChemAxon
pKa (Strongest Basic)	8.05	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	174.42 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	80.48 m³·mol⁻¹	ChemAxon
Polarizability	32.55 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	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

13188591

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for methyl 7-[3-amino-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-2-imino-1h-pyrrolo[2,3-d]pyrimidine-5-carboxylate (NP0315531)

MOL for NP0315531 (methyl 7-[3-amino-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-2-imino-1h-pyrrolo[2,3-d]pyrimidine-5-carboxylate)

3D MOL for NP0315531 (methyl 7-[3-amino-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-2-imino-1h-pyrrolo[2,3-d]pyrimidine-5-carboxylate)

3D SDF for NP0315531 (methyl 7-[3-amino-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-2-imino-1h-pyrrolo[2,3-d]pyrimidine-5-carboxylate)

3D-SDF for NP0315531 (methyl 7-[3-amino-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-2-imino-1h-pyrrolo[2,3-d]pyrimidine-5-carboxylate)

PDB for NP0315531 (methyl 7-[3-amino-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-2-imino-1h-pyrrolo[2,3-d]pyrimidine-5-carboxylate)

3D PDB for NP0315531 (methyl 7-[3-amino-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-2-imino-1h-pyrrolo[2,3-d]pyrimidine-5-carboxylate)

SMILES for NP0315531 (methyl 7-[3-amino-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-2-imino-1h-pyrrolo[2,3-d]pyrimidine-5-carboxylate)

INCHI for NP0315531 (methyl 7-[3-amino-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-2-imino-1h-pyrrolo[2,3-d]pyrimidine-5-carboxylate)

Structure for NP0315531 (methyl 7-[3-amino-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-2-imino-1h-pyrrolo[2,3-d]pyrimidine-5-carboxylate)

3D Structure for NP0315531 (methyl 7-[3-amino-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-2-imino-1h-pyrrolo[2,3-d]pyrimidine-5-carboxylate)