[(2S,5R)-5-(6-imino-7H-purin-3-yl)oxolan-2-yl]methanol

C10H13N5O2 — CID 135521876

IUPAC[(2S,5R)-5-(6-imino-7H-purin-3-yl)oxolan-2-yl]methanol
SMILES[H]/N=c1\ncn([C@H]2CC[C@@H](CO)O2)c2nc[nH]c12
InChIInChI=1S/C10H13N5O2/c11-9-8-10(13-4-12-8)15(5-14-9)7-2-1-6(3-16)17-7/h4-7,11,16H,1-3H2,(H,12,13)/b11-9-/t6-,7+/m0/s1
InChIKeySHABSADBQGVXLH-ASUSWUQDSA-N
MW235.25 g/mol
LogP-0.09
Rot. Bonds2

About [(2S,5R)-5-(6-imino-7H-purin-3-yl)oxolan-2-yl]methanol

[(2S,5R)-5-(6-imino-7H-purin-3-yl)oxolan-2-yl]methanol (PubChem CID 135521876) has the molecular formula C10H13N5O2 and a molecular weight of 235.25 g/mol. Its IUPAC name is [(2S,5R)-5-(6-imino-7H-purin-3-yl)oxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2S,5R)-5-(6-imino-7H-purin-3-yl)oxolan-2-yl]methanol
PubChem CID135521876
Molecular FormulaC10H13N5O2
Molecular Weight235.25 g/mol
Exact Mass235.11
IUPAC Name[(2S,5R)-5-(6-imino-7H-purin-3-yl)oxolan-2-yl]methanol
SMILES[H]/N=c1\ncn([C@H]2CC[C@@H](CO)O2)c2nc[nH]c12
InChIInChI=1S/C10H13N5O2/c11-9-8-10(13-4-12-8)15(5-14-9)7-2-1-6(3-16)17-7/h4-7,11,16H,1-3H2,(H,12,13)/b11-9-/t6-,7+/m0/s1
InChIKeySHABSADBQGVXLH-ASUSWUQDSA-N
XLogP-0.09
TPSA99.81 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [(2S,5R)-5-(6-imino-7H-purin-3-yl)oxolan-2-yl]methanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2S,5R)-5-(6-imino-7H-purin-3-yl)oxolan-2-yl]methanol?
The IUPAC name of [(2S,5R)-5-(6-imino-7H-purin-3-yl)oxolan-2-yl]methanol (CID 135521876) is [(2S,5R)-5-(6-imino-7H-purin-3-yl)oxolan-2-yl]methanol.
What is the SMILES notation for [(2S,5R)-5-(6-imino-7H-purin-3-yl)oxolan-2-yl]methanol?
The canonical SMILES for [(2S,5R)-5-(6-imino-7H-purin-3-yl)oxolan-2-yl]methanol is [H]/N=c1\ncn([C@H]2CC[C@@H](CO)O2)c2nc[nH]c12.
What is the InChIKey of [(2S,5R)-5-(6-imino-7H-purin-3-yl)oxolan-2-yl]methanol?
The InChIKey is SHABSADBQGVXLH-ASUSWUQDSA-N. The full InChI is InChI=1S/C10H13N5O2/c11-9-8-10(13-4-12-8)15(5-14-9)7-2-1-6(3-16)17-7/h4-7,11,16H,1-3H2,(H,12,13)/b11-9-/t6-,7+/m0/s1.
What are the key properties of [(2S,5R)-5-(6-imino-7H-purin-3-yl)oxolan-2-yl]methanol?
[(2S,5R)-5-(6-imino-7H-purin-3-yl)oxolan-2-yl]methanol has a molecular weight of 235.25 g/mol, XLogP of -0.09, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5R)-5-(6-imino-7H-purin-3-yl)oxolan-2-yl]methanol is sourced from PubChem (CID 135521876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).