(5R)-2-(6-azido-2-methylpurin-9-yl)-5-(2-methyltetrazol-5-yl)oxolane-3,4-diol

C12H13N11O3 — CID 59902837

IUPAC(5R)-2-(6-azido-2-methylpurin-9-yl)-5-(2-methyltetrazol-5-yl)oxolane-3,4-diol
SMILESCc1nc(N=[N+]=[N-])c2ncn(C3O[C@H](c4nnn(C)n4)C(O)C3O)c2n1
InChIInChI=1S/C12H13N11O3/c1-4-15-9(17-20-13)5-11(16-4)23(3-14-5)12-7(25)6(24)8(26-12)10-18-21-22(2)19-10/h3,6-8,12,24-25H,1-2H3/t6?,7?,8-,12?/m0/s1
InChIKeyUZYCYYKMZNVODU-VBCXJGGRSA-N
MW359.31 g/mol
LogP-0.41
Rot. Bonds3

About (5R)-2-(6-azido-2-methylpurin-9-yl)-5-(2-methyltetrazol-5-yl)oxolane-3,4-diol

(5R)-2-(6-azido-2-methylpurin-9-yl)-5-(2-methyltetrazol-5-yl)oxolane-3,4-diol (PubChem CID 59902837) has the molecular formula C12H13N11O3 and a molecular weight of 359.31 g/mol. Its IUPAC name is (5R)-2-(6-azido-2-methylpurin-9-yl)-5-(2-methyltetrazol-5-yl)oxolane-3,4-diol.

Molecular Properties

Compound Name(5R)-2-(6-azido-2-methylpurin-9-yl)-5-(2-methyltetrazol-5-yl)oxolane-3,4-diol
PubChem CID59902837
Molecular FormulaC12H13N11O3
Molecular Weight359.31 g/mol
Exact Mass359.12
IUPAC Name(5R)-2-(6-azido-2-methylpurin-9-yl)-5-(2-methyltetrazol-5-yl)oxolane-3,4-diol
SMILESCc1nc(N=[N+]=[N-])c2ncn(C3O[C@H](c4nnn(C)n4)C(O)C3O)c2n1
InChIInChI=1S/C12H13N11O3/c1-4-15-9(17-20-13)5-11(16-4)23(3-14-5)12-7(25)6(24)8(26-12)10-18-21-22(2)19-10/h3,6-8,12,24-25H,1-2H3/t6?,7?,8-,12?/m0/s1
InChIKeyUZYCYYKMZNVODU-VBCXJGGRSA-N
XLogP-0.41
TPSA185.65 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.31
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze (5R)-2-(6-azido-2-methylpurin-9-yl)-5-(2-methyltetrazol-5-yl)oxolane-3,4-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,6-dimethylpurin-9-yl)-5-(2-methyltetrazol-5-yl)oxolane-3,4-diol
CID 22956072
(2R,3R,4S,5S)-2-(2-methyl-6-nitrosopurin-9-yl)-5-(sulfanylmethyl)oxolane-3,4-diol
CID 88829423
(2R,5R)-2-(6-azidopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 59964783
(3S,4S,5R)-2-(6-azidopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 21120311
(2R,3R,4S,5R)-2-[2,6-bis[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]purin-9-yl]-5-(2-methyltetrazol-5-yl)oxolane-3,4-diol
CID 70097955
(2R,3S,4S,5R)-5-(6-amino-2-methylpurin-9-yl)-4-azido-2-(hydroxymethyl)oxolan-3-ol
CID 14769087
2-[6-(dimethylamino)-2-methylpurin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 162889192
(2R,3R,4S,5R)-2-(6-amino-2-methylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;phosphoric acid
CID 172852038
1-[(2S,3S,4R)-5-(6-amino-2-methylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]ethanone
CID 59760575
9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylpurine-6-carbonitrile
CID 134914511
2-[2-chloro-6-(pentan-3-ylamino)purin-9-yl]-5-(2-ethyltetrazol-5-yl)oxolane-3,4-diol
CID 87797514
(2R,3R,4S,5R)-2-[2-chloro-6-(pentan-3-ylamino)purin-9-yl]-5-(2-ethyltetrazol-5-yl)oxolane-3,4-diol
CID 87638500

Frequently Asked Questions

What is the IUPAC name of (5R)-2-(6-azido-2-methylpurin-9-yl)-5-(2-methyltetrazol-5-yl)oxolane-3,4-diol?
The IUPAC name of (5R)-2-(6-azido-2-methylpurin-9-yl)-5-(2-methyltetrazol-5-yl)oxolane-3,4-diol (CID 59902837) is (5R)-2-(6-azido-2-methylpurin-9-yl)-5-(2-methyltetrazol-5-yl)oxolane-3,4-diol.
What is the SMILES notation for (5R)-2-(6-azido-2-methylpurin-9-yl)-5-(2-methyltetrazol-5-yl)oxolane-3,4-diol?
The canonical SMILES for (5R)-2-(6-azido-2-methylpurin-9-yl)-5-(2-methyltetrazol-5-yl)oxolane-3,4-diol is Cc1nc(N=[N+]=[N-])c2ncn(C3O[C@H](c4nnn(C)n4)C(O)C3O)c2n1.
What is the InChIKey of (5R)-2-(6-azido-2-methylpurin-9-yl)-5-(2-methyltetrazol-5-yl)oxolane-3,4-diol?
The InChIKey is UZYCYYKMZNVODU-VBCXJGGRSA-N. The full InChI is InChI=1S/C12H13N11O3/c1-4-15-9(17-20-13)5-11(16-4)23(3-14-5)12-7(25)6(24)8(26-12)10-18-21-22(2)19-10/h3,6-8,12,24-25H,1-2H3/t6?,7?,8-,12?/m0/s1.
What are the key properties of (5R)-2-(6-azido-2-methylpurin-9-yl)-5-(2-methyltetrazol-5-yl)oxolane-3,4-diol?
(5R)-2-(6-azido-2-methylpurin-9-yl)-5-(2-methyltetrazol-5-yl)oxolane-3,4-diol has a molecular weight of 359.31 g/mol, XLogP of -0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-(6-azido-2-methylpurin-9-yl)-5-(2-methyltetrazol-5-yl)oxolane-3,4-diol is sourced from PubChem (CID 59902837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).