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

C10H13N5O2 — CID 135258304

IUPAC[(5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methanol
SMILESNc1ncnc2c1ncn2[C@H]1CCC(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-/m1/s1
InChIKeyWVXRAFOPTSTNLL-COBSHVIPSA-N
MW235.25 g/mol
LogP0.08
Rot. Bonds2

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

[(5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methanol (PubChem CID 135258304) has the molecular formula C10H13N5O2 and a molecular weight of 235.25 g/mol. Its IUPAC name is [(5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methanol.

Molecular Properties

Compound Name[(5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methanol
PubChem CID135258304
Molecular FormulaC10H13N5O2
Molecular Weight235.25 g/mol
Exact Mass235.11
IUPAC Name[(5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methanol
SMILESNc1ncnc2c1ncn2[C@H]1CCC(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-/m1/s1
InChIKeyWVXRAFOPTSTNLL-COBSHVIPSA-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 [(5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methanol?
The IUPAC name of [(5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methanol (CID 135258304) is [(5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methanol.
What is the SMILES notation for [(5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methanol?
The canonical SMILES for [(5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methanol is Nc1ncnc2c1ncn2[C@H]1CCC(CO)O1.
What is the InChIKey of [(5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methanol?
The InChIKey is WVXRAFOPTSTNLL-COBSHVIPSA-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-/m1/s1.
What are the key properties of [(5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methanol?
[(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 [(5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methanol is sourced from PubChem (CID 135258304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).