(2R,3R,4R,5R)-4-fluoro-2-(hydroxymethyl)-5-purin-9-yloxolan-3-ol

C10H11FN4O3 — CID 56980111

IUPAC(2R,3R,4R,5R)-4-fluoro-2-(hydroxymethyl)-5-purin-9-yloxolan-3-ol
SMILESOC[C@H]1O[C@@H](n2cnc3cncnc32)[C@H](F)[C@@H]1O
InChIInChI=1S/C10H11FN4O3/c11-7-8(17)6(2-16)18-10(7)15-4-14-5-1-12-3-13-9(5)15/h1,3-4,6-8,10,16-17H,2H2/t6-,7-,8-,10-/m1/s1
InChIKeyHLBLWLNFMONEHG-FDDDBJFASA-N
MW254.22 g/mol
LogP-0.58
Rot. Bonds2

About (2R,3R,4R,5R)-4-fluoro-2-(hydroxymethyl)-5-purin-9-yloxolan-3-ol

(2R,3R,4R,5R)-4-fluoro-2-(hydroxymethyl)-5-purin-9-yloxolan-3-ol (PubChem CID 56980111) has the molecular formula C10H11FN4O3 and a molecular weight of 254.22 g/mol. Its IUPAC name is (2R,3R,4R,5R)-4-fluoro-2-(hydroxymethyl)-5-purin-9-yloxolan-3-ol.

Molecular Properties

Compound Name(2R,3R,4R,5R)-4-fluoro-2-(hydroxymethyl)-5-purin-9-yloxolan-3-ol
PubChem CID56980111
Molecular FormulaC10H11FN4O3
Molecular Weight254.22 g/mol
Exact Mass254.08
IUPAC Name(2R,3R,4R,5R)-4-fluoro-2-(hydroxymethyl)-5-purin-9-yloxolan-3-ol
SMILESOC[C@H]1O[C@@H](n2cnc3cncnc32)[C@H](F)[C@@H]1O
InChIInChI=1S/C10H11FN4O3/c11-7-8(17)6(2-16)18-10(7)15-4-14-5-1-12-3-13-9(5)15/h1,3-4,6-8,10,16-17H,2H2/t6-,7-,8-,10-/m1/s1
InChIKeyHLBLWLNFMONEHG-FDDDBJFASA-N
XLogP-0.58
TPSA93.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.22
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(2S,3R,4R,5R)-2-(hydroxymethyl)-5-purin-9-yloxolane-3,4-diol
CID 676112
5-(2-aminopurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
CID 19934353
(2R,3R,4S,5R)-4-fluoro-2-(hydroxymethyl)-5-pyrrolo[2,3-d]pyrimidin-7-yloxolan-3-ol
CID 90689612
(2R,3R,4S,5R)-5-(6-chloropurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
CID 10517505
[(2S,3R,4R,5R)-4-fluoro-3-methyl-5-purin-9-yloxolan-2-yl]methanamine
CID 158052608
(2R,3S,4S,5R)-5-[6-(dimethylamino)purin-9-yl]-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
CID 144683634
(2R,3S,4S,5R)-4-fluoro-2-(hydroxymethyl)-5-purin-9-ylthiolan-3-ol
CID 54400741
(2R,3R,4S,5R)-5-(5,6-dichlorobenzimidazol-1-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
CID 57308895
(2R,3S,4S,5R,6S,7R)-7-(6-aminopurin-9-yl)-6-fluoro-2-(hydroxymethyl)oxepane-3,4,5-triol
CID 58940294
(2R,3R,4S,5R)-5-(5,7-difluorobenzimidazol-1-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
CID 132546864
[(2R,3R,5R)-3,4-dihydroxy-5-purin-9-yloxolan-2-yl]methyl dihydrogen phosphate
CID 163766650
(4R)-4-fluoro-2-(hydroxymethyl)-5-(6-prop-2-enoxypurin-9-yl)oxolan-3-ol
CID 167072676

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R)-4-fluoro-2-(hydroxymethyl)-5-purin-9-yloxolan-3-ol?
The IUPAC name of (2R,3R,4R,5R)-4-fluoro-2-(hydroxymethyl)-5-purin-9-yloxolan-3-ol (CID 56980111) is (2R,3R,4R,5R)-4-fluoro-2-(hydroxymethyl)-5-purin-9-yloxolan-3-ol.
What is the SMILES notation for (2R,3R,4R,5R)-4-fluoro-2-(hydroxymethyl)-5-purin-9-yloxolan-3-ol?
The canonical SMILES for (2R,3R,4R,5R)-4-fluoro-2-(hydroxymethyl)-5-purin-9-yloxolan-3-ol is OC[C@H]1O[C@@H](n2cnc3cncnc32)[C@H](F)[C@@H]1O.
What is the InChIKey of (2R,3R,4R,5R)-4-fluoro-2-(hydroxymethyl)-5-purin-9-yloxolan-3-ol?
The InChIKey is HLBLWLNFMONEHG-FDDDBJFASA-N. The full InChI is InChI=1S/C10H11FN4O3/c11-7-8(17)6(2-16)18-10(7)15-4-14-5-1-12-3-13-9(5)15/h1,3-4,6-8,10,16-17H,2H2/t6-,7-,8-,10-/m1/s1.
What are the key properties of (2R,3R,4R,5R)-4-fluoro-2-(hydroxymethyl)-5-purin-9-yloxolan-3-ol?
(2R,3R,4R,5R)-4-fluoro-2-(hydroxymethyl)-5-purin-9-yloxolan-3-ol has a molecular weight of 254.22 g/mol, XLogP of -0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R)-4-fluoro-2-(hydroxymethyl)-5-purin-9-yloxolan-3-ol is sourced from PubChem (CID 56980111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).