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

C10H11FN4O2 — CID 67868000

IUPAC[(2S,5S)-5-(6-fluoropurin-9-yl)oxolan-2-yl]methanol
SMILESOC[C@@H]1CC[C@@H](n2cnc3c(F)ncnc32)O1
InChIInChI=1S/C10H11FN4O2/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/t6-,7-/m0/s1
InChIKeySZWXQUMUPFALSF-BQBZGAKWSA-N
MW238.22 g/mol
LogP0.64
Rot. Bonds2

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

[(2S,5S)-5-(6-fluoropurin-9-yl)oxolan-2-yl]methanol (PubChem CID 67868000) has the molecular formula C10H11FN4O2 and a molecular weight of 238.22 g/mol. Its IUPAC name is [(2S,5S)-5-(6-fluoropurin-9-yl)oxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2S,5S)-5-(6-fluoropurin-9-yl)oxolan-2-yl]methanol
PubChem CID67868000
Molecular FormulaC10H11FN4O2
Molecular Weight238.22 g/mol
Exact Mass238.09
IUPAC Name[(2S,5S)-5-(6-fluoropurin-9-yl)oxolan-2-yl]methanol
SMILESOC[C@@H]1CC[C@@H](n2cnc3c(F)ncnc32)O1
InChIInChI=1S/C10H11FN4O2/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/t6-,7-/m0/s1
InChIKeySZWXQUMUPFALSF-BQBZGAKWSA-N
XLogP0.64
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.22
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S,5R)-5-(6-hydrazinylpurin-9-yl)oxolan-2-yl]methanol
CID 135258315
[(5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methanol
CID 135258304
[(2S,5R)-5-(6-nitrosopurin-9-yl)oxolan-2-yl]methanol
CID 57107632
acetylene;[5-(6-aminopurin-9-yl)oxolan-2-yl]methanol;methanol
CID 165130368
[5-[6-(diethylamino)purin-9-yl]oxolan-2-yl]methanol
CID 71339758
[(2R,5R)-5-[6-(cyclohexylamino)purin-9-yl]oxolan-2-yl]methanol
CID 54592375
[5-[6-(prop-2-ynylamino)purin-9-yl]oxolan-2-yl]methanol
CID 142808553
[(2S)-5-(6-amino-2-fluoropurin-9-yl)oxolan-2-yl]methanol
CID 153392880
[(5R)-5-[6-(benzylamino)purin-9-yl]oxolan-2-yl]methanol
CID 142470459
9-[(2S)-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 137132957
acetylene;[5-(6-amino-2-fluoropurin-9-yl)oxolan-2-yl]methanol
CID 145281051
[5-[6-[(2-methyl-2-phenylpropyl)amino]purin-9-yl]oxolan-2-yl]methanol
CID 123399954

Frequently Asked Questions

What is the IUPAC name of [(2S,5S)-5-(6-fluoropurin-9-yl)oxolan-2-yl]methanol?
The IUPAC name of [(2S,5S)-5-(6-fluoropurin-9-yl)oxolan-2-yl]methanol (CID 67868000) is [(2S,5S)-5-(6-fluoropurin-9-yl)oxolan-2-yl]methanol.
What is the SMILES notation for [(2S,5S)-5-(6-fluoropurin-9-yl)oxolan-2-yl]methanol?
The canonical SMILES for [(2S,5S)-5-(6-fluoropurin-9-yl)oxolan-2-yl]methanol is OC[C@@H]1CC[C@@H](n2cnc3c(F)ncnc32)O1.
What is the InChIKey of [(2S,5S)-5-(6-fluoropurin-9-yl)oxolan-2-yl]methanol?
The InChIKey is SZWXQUMUPFALSF-BQBZGAKWSA-N. The full InChI is InChI=1S/C10H11FN4O2/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/t6-,7-/m0/s1.
What are the key properties of [(2S,5S)-5-(6-fluoropurin-9-yl)oxolan-2-yl]methanol?
[(2S,5S)-5-(6-fluoropurin-9-yl)oxolan-2-yl]methanol has a molecular weight of 238.22 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5S)-5-(6-fluoropurin-9-yl)oxolan-2-yl]methanol is sourced from PubChem (CID 67868000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).