[(2R,3S,4S,5R)-5-[(6-aminopurin-9-yl)methyl]-3,4-diazidooxolan-2-yl]methanol

C11H13N11O2 — CID 101335301

IUPAC[(2R,3S,4S,5R)-5-[(6-aminopurin-9-yl)methyl]-3,4-diazidooxolan-2-yl]methanol
SMILES[N-]=[N+]=N[C@H]1[C@H](N=[N+]=[N-])[C@@H](Cn2cnc3c(N)ncnc32)O[C@H]1CO
InChIInChI=1S/C11H13N11O2/c12-10-9-11(16-3-15-10)22(4-17-9)1-5-7(18-20-13)8(19-21-14)6(2-23)24-5/h3-8,23H,1-2H2,(H2,12,15,16)/t5-,6+,7-,8-/m1/s1
InChIKeyBOMNSHXMUJUAIR-ULAWRXDQSA-N
MW331.30 g/mol
LogP0.53
Rot. Bonds5

About [(2R,3S,4S,5R)-5-[(6-aminopurin-9-yl)methyl]-3,4-diazidooxolan-2-yl]methanol

[(2R,3S,4S,5R)-5-[(6-aminopurin-9-yl)methyl]-3,4-diazidooxolan-2-yl]methanol (PubChem CID 101335301) has the molecular formula C11H13N11O2 and a molecular weight of 331.30 g/mol. Its IUPAC name is [(2R,3S,4S,5R)-5-[(6-aminopurin-9-yl)methyl]-3,4-diazidooxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2R,3S,4S,5R)-5-[(6-aminopurin-9-yl)methyl]-3,4-diazidooxolan-2-yl]methanol
PubChem CID101335301
Molecular FormulaC11H13N11O2
Molecular Weight331.30 g/mol
Exact Mass331.13
IUPAC Name[(2R,3S,4S,5R)-5-[(6-aminopurin-9-yl)methyl]-3,4-diazidooxolan-2-yl]methanol
SMILES[N-]=[N+]=N[C@H]1[C@H](N=[N+]=[N-])[C@@H](Cn2cnc3c(N)ncnc32)O[C@H]1CO
InChIInChI=1S/C11H13N11O2/c12-10-9-11(16-3-15-10)22(4-17-9)1-5-7(18-20-13)8(19-21-14)6(2-23)24-5/h3-8,23H,1-2H2,(H2,12,15,16)/t5-,6+,7-,8-/m1/s1
InChIKeyBOMNSHXMUJUAIR-ULAWRXDQSA-N
XLogP0.53
TPSA196.60 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.30
LogP ≤ 50.53
H-Bond Donors ≤ 52
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'}

Analyze [(2R,3S,4S,5R)-5-[(6-aminopurin-9-yl)methyl]-3,4-diazidooxolan-2-yl]methanol with MolForge

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Related Compounds

(2R,3S,4S,5S)-2-[(6-aminopurin-9-yl)methyl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 11507438
(2R,3S,4S,5S)-2-(6-aminopurin-9-yl)-4-azido-5-(hydroxymethyl)oxolan-3-ol
CID 6482482
(2R,4S,5R)-5-(6-aminopurin-9-yl)-4-azido-2-(hydroxymethyl)oxolan-3-ol
CID 71209801
(2R,3S,5R)-5-(6-aminopurin-9-yl)-4-azido-2-(hydroxymethyl)oxolan-3-ol;phosphoric acid
CID 21125637
[(2S,3R,5R)-5-(6-aminopurin-9-yl)-3-azido-4,4-difluorooxolan-2-yl]methanol
CID 71354368
[(2R,5S)-5-[(6-aminopurin-9-yl)methyl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
CID 59960729
9-(2-azidoethyl)purin-6-amine
CID 15216696
[(1R,3S,4S)-3-(6-aminopurin-9-yl)-4-azidocyclopentyl]methanol
CID 21145541
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol azide
CID 89464553
[(2S,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-azido-4-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
CID 131887632
[(2S,3R,5R)-5-(6-aminopurin-9-yl)-3-azido-4-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
CID 171428936
(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-azido-2-(dihydroxyphosphinothioyloxymethyl)oxolan-3-ol
CID 176612749

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4S,5R)-5-[(6-aminopurin-9-yl)methyl]-3,4-diazidooxolan-2-yl]methanol?
The IUPAC name of [(2R,3S,4S,5R)-5-[(6-aminopurin-9-yl)methyl]-3,4-diazidooxolan-2-yl]methanol (CID 101335301) is [(2R,3S,4S,5R)-5-[(6-aminopurin-9-yl)methyl]-3,4-diazidooxolan-2-yl]methanol.
What is the SMILES notation for [(2R,3S,4S,5R)-5-[(6-aminopurin-9-yl)methyl]-3,4-diazidooxolan-2-yl]methanol?
The canonical SMILES for [(2R,3S,4S,5R)-5-[(6-aminopurin-9-yl)methyl]-3,4-diazidooxolan-2-yl]methanol is [N-]=[N+]=N[C@H]1[C@H](N=[N+]=[N-])[C@@H](Cn2cnc3c(N)ncnc32)O[C@H]1CO.
What is the InChIKey of [(2R,3S,4S,5R)-5-[(6-aminopurin-9-yl)methyl]-3,4-diazidooxolan-2-yl]methanol?
The InChIKey is BOMNSHXMUJUAIR-ULAWRXDQSA-N. The full InChI is InChI=1S/C11H13N11O2/c12-10-9-11(16-3-15-10)22(4-17-9)1-5-7(18-20-13)8(19-21-14)6(2-23)24-5/h3-8,23H,1-2H2,(H2,12,15,16)/t5-,6+,7-,8-/m1/s1.
What are the key properties of [(2R,3S,4S,5R)-5-[(6-aminopurin-9-yl)methyl]-3,4-diazidooxolan-2-yl]methanol?
[(2R,3S,4S,5R)-5-[(6-aminopurin-9-yl)methyl]-3,4-diazidooxolan-2-yl]methanol has a molecular weight of 331.30 g/mol, XLogP of 0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4S,5R)-5-[(6-aminopurin-9-yl)methyl]-3,4-diazidooxolan-2-yl]methanol is sourced from PubChem (CID 101335301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).