[(2S,5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methanol

C10H13N5O2 — CID 20039

IUPAC[(2S,5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methanol
SMILESNc1ncnc2c1ncn2[C@H]1CC[C@@H](CO)O1
InChIInChI=1S/C10H13N5O2/c11-9-8-10(13-4-12-9)15(5-14-8)7-2-1-6(3-16)17-7/h4-7,16H,1-3H2,(H2,11,12,13)/t6-,7+/m0/s1
InChIKeyWVXRAFOPTSTNLL-NKWVEPMBSA-N
MW235.25 g/mol
LogP0.08
Rot. Bonds2

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

[(2S,5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methanol (PubChem CID 20039) has the molecular formula C10H13N5O2 and a molecular weight of 235.25 g/mol. Its IUPAC name is [(2S,5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2S,5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methanol
PubChem CID20039
Molecular FormulaC10H13N5O2
Molecular Weight235.25 g/mol
Exact Mass235.11
IUPAC Name[(2S,5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methanol
SMILESNc1ncnc2c1ncn2[C@H]1CC[C@@H](CO)O1
InChIInChI=1S/C10H13N5O2/c11-9-8-10(13-4-12-9)15(5-14-8)7-2-1-6(3-16)17-7/h4-7,16H,1-3H2,(H2,11,12,13)/t6-,7+/m0/s1
InChIKeyWVXRAFOPTSTNLL-NKWVEPMBSA-N
XLogP0.08
TPSA99.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(2S,5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methanol?
The IUPAC name of [(2S,5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methanol (CID 20039) is [(2S,5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methanol.
What is the SMILES notation for [(2S,5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methanol?
The canonical SMILES for [(2S,5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methanol is Nc1ncnc2c1ncn2[C@H]1CC[C@@H](CO)O1.
What is the InChIKey of [(2S,5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methanol?
The InChIKey is WVXRAFOPTSTNLL-NKWVEPMBSA-N. The full InChI is InChI=1S/C10H13N5O2/c11-9-8-10(13-4-12-9)15(5-14-8)7-2-1-6(3-16)17-7/h4-7,16H,1-3H2,(H2,11,12,13)/t6-,7+/m0/s1.
What are the key properties of [(2S,5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methanol?
[(2S,5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methanol has a molecular weight of 235.25 g/mol, XLogP of 0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methanol is sourced from PubChem (CID 20039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).