[(2S,5R)-5-(6-amino-8-azidopurin-9-yl)oxolan-2-yl]methanol

C10H12N8O2 — CID 121486826

IUPAC[(2S,5R)-5-(6-amino-8-azidopurin-9-yl)oxolan-2-yl]methanol
SMILES[N-]=[N+]=Nc1nc2c(N)ncnc2n1[C@H]1CC[C@@H](CO)O1
InChIInChI=1S/C10H12N8O2/c11-8-7-9(14-4-13-8)18(10(15-7)16-17-12)6-2-1-5(3-19)20-6/h4-6,19H,1-3H2,(H2,11,13,14)/t5-,6+/m0/s1
InChIKeyYNWIVPLDEUEIEY-NTSWFWBYSA-N
MW276.26 g/mol
LogP1.02
Rot. Bonds3

About [(2S,5R)-5-(6-amino-8-azidopurin-9-yl)oxolan-2-yl]methanol

[(2S,5R)-5-(6-amino-8-azidopurin-9-yl)oxolan-2-yl]methanol (PubChem CID 121486826) has the molecular formula C10H12N8O2 and a molecular weight of 276.26 g/mol. Its IUPAC name is [(2S,5R)-5-(6-amino-8-azidopurin-9-yl)oxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2S,5R)-5-(6-amino-8-azidopurin-9-yl)oxolan-2-yl]methanol
PubChem CID121486826
Molecular FormulaC10H12N8O2
Molecular Weight276.26 g/mol
Exact Mass276.11
IUPAC Name[(2S,5R)-5-(6-amino-8-azidopurin-9-yl)oxolan-2-yl]methanol
SMILES[N-]=[N+]=Nc1nc2c(N)ncnc2n1[C@H]1CC[C@@H](CO)O1
InChIInChI=1S/C10H12N8O2/c11-8-7-9(14-4-13-8)18(10(15-7)16-17-12)6-2-1-5(3-19)20-6/h4-6,19H,1-3H2,(H2,11,13,14)/t5-,6+/m0/s1
InChIKeyYNWIVPLDEUEIEY-NTSWFWBYSA-N
XLogP1.02
TPSA147.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

[(5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methanol
CID 135258304
acetylene;[5-(6-aminopurin-9-yl)oxolan-2-yl]methanol;methanol
CID 165130368
[[(2S,4R,5R)-5-(6-amino-8-azidopurin-9-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 10098543
6-amino-9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-7H-purine-8-thione
CID 14889121
[(2R,3R,4R)-5-(6-amino-8-azidopurin-9-yl)-4-[[(2R,3R,4R)-5-(6-amino-8-azidopurin-9-yl)-4-[[(2R,3S,4R)-5-(6-amino-8-azidopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-3-hydroxyoxolan-2-yl]methyl [(4R,5R)-2-(6-amino-8-azidopurin-9-yl)-4-hydroxy-5-(phosphonooxymethyl)oxolan-3-yl] hydrogen phosphate
CID 46877382
[5-(4-amino-5-ethynylpyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methanol
CID 142559953
(2R,3R,4S,5R)-2-(6-amino-8-cyclopentylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 54375008
(2R,3S,5S)-5-(6-amino-8-bromopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 42531062
8-amino-9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 136663246
[(2S,5R)-5-(6-hydrazinylpurin-9-yl)oxolan-2-yl]methanol
CID 135258315
[5-(6-amino-8-methylpurin-9-yl)-4-fluorooxolan-2-yl]methanol
CID 14853632
[(2S,5R)-5-(4-amino-5-bromopyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methanol;ethane
CID 145263983

Frequently Asked Questions

What is the IUPAC name of [(2S,5R)-5-(6-amino-8-azidopurin-9-yl)oxolan-2-yl]methanol?
The IUPAC name of [(2S,5R)-5-(6-amino-8-azidopurin-9-yl)oxolan-2-yl]methanol (CID 121486826) is [(2S,5R)-5-(6-amino-8-azidopurin-9-yl)oxolan-2-yl]methanol.
What is the SMILES notation for [(2S,5R)-5-(6-amino-8-azidopurin-9-yl)oxolan-2-yl]methanol?
The canonical SMILES for [(2S,5R)-5-(6-amino-8-azidopurin-9-yl)oxolan-2-yl]methanol is [N-]=[N+]=Nc1nc2c(N)ncnc2n1[C@H]1CC[C@@H](CO)O1.
What is the InChIKey of [(2S,5R)-5-(6-amino-8-azidopurin-9-yl)oxolan-2-yl]methanol?
The InChIKey is YNWIVPLDEUEIEY-NTSWFWBYSA-N. The full InChI is InChI=1S/C10H12N8O2/c11-8-7-9(14-4-13-8)18(10(15-7)16-17-12)6-2-1-5(3-19)20-6/h4-6,19H,1-3H2,(H2,11,13,14)/t5-,6+/m0/s1.
What are the key properties of [(2S,5R)-5-(6-amino-8-azidopurin-9-yl)oxolan-2-yl]methanol?
[(2S,5R)-5-(6-amino-8-azidopurin-9-yl)oxolan-2-yl]methanol has a molecular weight of 276.26 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5R)-5-(6-amino-8-azidopurin-9-yl)oxolan-2-yl]methanol is sourced from PubChem (CID 121486826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).