(2R,3S,5R)-5-(6-amino-2-azidopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol

C10H12N8O3 — CID 510979

IUPAC(2R,3S,5R)-5-(6-amino-2-azidopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
SMILES[N-]=[N+]=Nc1nc(N)c2ncn([C@H]3C[C@H](O)[C@@H](CO)O3)c2n1
InChIInChI=1S/C10H12N8O3/c11-8-7-9(15-10(14-8)16-17-12)18(3-13-7)6-1-4(20)5(2-19)21-6/h3-6,19-20H,1-2H2,(H2,11,14,15)/t4-,5+,6+/m0/s1
InChIKeyPLBOKIVEVSWRNR-KVQBGUIXSA-N
MW292.26 g/mol
LogP-0.01
Rot. Bonds3

About (2R,3S,5R)-5-(6-amino-2-azidopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol

(2R,3S,5R)-5-(6-amino-2-azidopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol (PubChem CID 510979) has the molecular formula C10H12N8O3 and a molecular weight of 292.26 g/mol. Its IUPAC name is (2R,3S,5R)-5-(6-amino-2-azidopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol.

Molecular Properties

Compound Name(2R,3S,5R)-5-(6-amino-2-azidopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
PubChem CID510979
Molecular FormulaC10H12N8O3
Molecular Weight292.26 g/mol
Exact Mass292.10
IUPAC Name(2R,3S,5R)-5-(6-amino-2-azidopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
SMILES[N-]=[N+]=Nc1nc(N)c2ncn([C@H]3C[C@H](O)[C@@H](CO)O3)c2n1
InChIInChI=1S/C10H12N8O3/c11-8-7-9(15-10(14-8)16-17-12)18(3-13-7)6-1-4(20)5(2-19)21-6/h3-6,19-20H,1-2H2,(H2,11,14,15)/t4-,5+,6+/m0/s1
InChIKeyPLBOKIVEVSWRNR-KVQBGUIXSA-N
XLogP-0.01
TPSA168.07 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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'}

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Related Compounds

5-(6-amino-2-hydrazinylpurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 154718024
(2R,5R)-5-(6-amino-2-iodopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 57002489
(2R,3S,5R)-5-[6-amino-2-(benzylideneamino)purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol
CID 131845601
(2R,3S,5R)-5-(4-aminoimidazo[4,5-d]triazin-7-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 10933976
(2S,3R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 125344325
(2S,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 7059421
(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)(313C)oxolan-3-ol;hydrate
CID 165412978
(3R,5S,7R)-7-(2,6-diaminopurin-9-yl)-2-(hydroxymethyl)oxepane-3,4,5-triol
CID 58940460
[2-azido-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl] 2,4,6-trimethylbenzenesulfonate
CID 15540001
(2S,3R)-5-(2-amino-6-chloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 154723265
(2S,3R)-5-(2-amino-6-methoxypurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 154710689
(2R,3S,5R)-5-(4-azidoimidazo[4,5-c]pyridin-1-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 15217056

Frequently Asked Questions

What is the IUPAC name of (2R,3S,5R)-5-(6-amino-2-azidopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol?
The IUPAC name of (2R,3S,5R)-5-(6-amino-2-azidopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol (CID 510979) is (2R,3S,5R)-5-(6-amino-2-azidopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol.
What is the SMILES notation for (2R,3S,5R)-5-(6-amino-2-azidopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol?
The canonical SMILES for (2R,3S,5R)-5-(6-amino-2-azidopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol is [N-]=[N+]=Nc1nc(N)c2ncn([C@H]3C[C@H](O)[C@@H](CO)O3)c2n1.
What is the InChIKey of (2R,3S,5R)-5-(6-amino-2-azidopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol?
The InChIKey is PLBOKIVEVSWRNR-KVQBGUIXSA-N. The full InChI is InChI=1S/C10H12N8O3/c11-8-7-9(15-10(14-8)16-17-12)18(3-13-7)6-1-4(20)5(2-19)21-6/h3-6,19-20H,1-2H2,(H2,11,14,15)/t4-,5+,6+/m0/s1.
What are the key properties of (2R,3S,5R)-5-(6-amino-2-azidopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol?
(2R,3S,5R)-5-(6-amino-2-azidopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol has a molecular weight of 292.26 g/mol, XLogP of -0.01, 3 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5R)-5-(6-amino-2-azidopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol is sourced from PubChem (CID 510979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).