[(2S,5S)-5-(6-aminopurin-9-yl)-3,3-difluorooxolan-2-yl]methanol

C10H11F2N5O2 — CID 509518

IUPAC[(2S,5S)-5-(6-aminopurin-9-yl)-3,3-difluorooxolan-2-yl]methanol
SMILESNc1ncnc2c1ncn2[C@@H]1CC(F)(F)[C@H](CO)O1
InChIInChI=1S/C10H11F2N5O2/c11-10(12)1-6(19-5(10)2-18)17-4-16-7-8(13)14-3-15-9(7)17/h3-6,18H,1-2H2,(H2,13,14,15)/t5-,6-/m0/s1
InChIKeyCGYGOMSWJFPRIE-WDSKDSINSA-N
MW271.23 g/mol
LogP0.32
Rot. Bonds2

About [(2S,5S)-5-(6-aminopurin-9-yl)-3,3-difluorooxolan-2-yl]methanol

[(2S,5S)-5-(6-aminopurin-9-yl)-3,3-difluorooxolan-2-yl]methanol (PubChem CID 509518) has the molecular formula C10H11F2N5O2 and a molecular weight of 271.23 g/mol. Its IUPAC name is [(2S,5S)-5-(6-aminopurin-9-yl)-3,3-difluorooxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2S,5S)-5-(6-aminopurin-9-yl)-3,3-difluorooxolan-2-yl]methanol
PubChem CID509518
Molecular FormulaC10H11F2N5O2
Molecular Weight271.23 g/mol
Exact Mass271.09
IUPAC Name[(2S,5S)-5-(6-aminopurin-9-yl)-3,3-difluorooxolan-2-yl]methanol
SMILESNc1ncnc2c1ncn2[C@@H]1CC(F)(F)[C@H](CO)O1
InChIInChI=1S/C10H11F2N5O2/c11-10(12)1-6(19-5(10)2-18)17-4-16-7-8(13)14-3-15-9(7)17/h3-6,18H,1-2H2,(H2,13,14,15)/t5-,6-/m0/s1
InChIKeyCGYGOMSWJFPRIE-WDSKDSINSA-N
XLogP0.32
TPSA99.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.23
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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Deoxyadenosine
CID 13730
Datp
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5'-Methylthioadenosine
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5'-Adp
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Camp
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Fludarabine
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Frequently Asked Questions

What is the IUPAC name of [(2S,5S)-5-(6-aminopurin-9-yl)-3,3-difluorooxolan-2-yl]methanol?
The IUPAC name of [(2S,5S)-5-(6-aminopurin-9-yl)-3,3-difluorooxolan-2-yl]methanol (CID 509518) is [(2S,5S)-5-(6-aminopurin-9-yl)-3,3-difluorooxolan-2-yl]methanol.
What is the SMILES notation for [(2S,5S)-5-(6-aminopurin-9-yl)-3,3-difluorooxolan-2-yl]methanol?
The canonical SMILES for [(2S,5S)-5-(6-aminopurin-9-yl)-3,3-difluorooxolan-2-yl]methanol is Nc1ncnc2c1ncn2[C@@H]1CC(F)(F)[C@H](CO)O1.
What is the InChIKey of [(2S,5S)-5-(6-aminopurin-9-yl)-3,3-difluorooxolan-2-yl]methanol?
The InChIKey is CGYGOMSWJFPRIE-WDSKDSINSA-N. The full InChI is InChI=1S/C10H11F2N5O2/c11-10(12)1-6(19-5(10)2-18)17-4-16-7-8(13)14-3-15-9(7)17/h3-6,18H,1-2H2,(H2,13,14,15)/t5-,6-/m0/s1.
What are the key properties of [(2S,5S)-5-(6-aminopurin-9-yl)-3,3-difluorooxolan-2-yl]methanol?
[(2S,5S)-5-(6-aminopurin-9-yl)-3,3-difluorooxolan-2-yl]methanol has a molecular weight of 271.23 g/mol, XLogP of 0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5S)-5-(6-aminopurin-9-yl)-3,3-difluorooxolan-2-yl]methanol is sourced from PubChem (CID 509518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).