(2R,3R,4S,5S)-4-fluoro-2-(hydroxymethyl)-5-(7H-purin-2-yl)oxolan-3-ol

C10H11FN4O3 — CID 141159197

IUPAC(2R,3R,4S,5S)-4-fluoro-2-(hydroxymethyl)-5-(7H-purin-2-yl)oxolan-3-ol
SMILESOC[C@H]1O[C@@H](c2ncc3[nH]cnc3n2)[C@@H](F)[C@@H]1O
InChIInChI=1S/C10H11FN4O3/c11-6-7(17)5(2-16)18-8(6)10-12-1-4-9(15-10)14-3-13-4/h1,3,5-8,16-17H,2H2,(H,12,13,14,15)/t5-,6+,7-,8-/m1/s1
InChIKeyDIURZBITBDLLDI-ULAWRXDQSA-N
MW254.22 g/mol
LogP-0.52
Rot. Bonds2

About (2R,3R,4S,5S)-4-fluoro-2-(hydroxymethyl)-5-(7H-purin-2-yl)oxolan-3-ol

(2R,3R,4S,5S)-4-fluoro-2-(hydroxymethyl)-5-(7H-purin-2-yl)oxolan-3-ol (PubChem CID 141159197) has the molecular formula C10H11FN4O3 and a molecular weight of 254.22 g/mol. Its IUPAC name is (2R,3R,4S,5S)-4-fluoro-2-(hydroxymethyl)-5-(7H-purin-2-yl)oxolan-3-ol.

Molecular Properties

Compound Name(2R,3R,4S,5S)-4-fluoro-2-(hydroxymethyl)-5-(7H-purin-2-yl)oxolan-3-ol
PubChem CID141159197
Molecular FormulaC10H11FN4O3
Molecular Weight254.22 g/mol
Exact Mass254.08
IUPAC Name(2R,3R,4S,5S)-4-fluoro-2-(hydroxymethyl)-5-(7H-purin-2-yl)oxolan-3-ol
SMILESOC[C@H]1O[C@@H](c2ncc3[nH]cnc3n2)[C@@H](F)[C@@H]1O
InChIInChI=1S/C10H11FN4O3/c11-6-7(17)5(2-16)18-8(6)10-12-1-4-9(15-10)14-3-13-4/h1,3,5-8,16-17H,2H2,(H,12,13,14,15)/t5-,6+,7-,8-/m1/s1
InChIKeyDIURZBITBDLLDI-ULAWRXDQSA-N
XLogP-0.52
TPSA104.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.22
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol;7H-purin-2-amine
CID 175258661
(3S,4R,5S)-2-(fluoromethylidene)-5-(7H-purin-2-yl)oxolane-3,4-diol
CID 139757934
(2S,3R,4S,5S)-2-(6-amino-7H-purin-2-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 54431924
(3S,4S,5R)-2-(6-amino-7H-purin-2-yl)-5-(hydroxymethyl)oxolane-3,4-diol;phosphoric acid
CID 23624109
(2R,3R,4R,5S)-5-(1,4-dihydroimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
CID 129071971
2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 169033139
8-[(3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,7-dihydropurin-6-one
CID 173317986
5-[(2S,3S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,6-dimethyl-1H-pyrazin-2-one
CID 118004786
(2R,3S,4R,5S)-2-(hydroxymethyl)-5-(4-methyl-1H-imidazol-5-yl)oxolane-3,4-diol
CID 135522006
(2R,3R,4R,5S)-5-(4-aminopyrrolo[1,2-a][1,3,5]triazin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
CID 67491471
(2R,3R,4S,5R)-5-(6-amino-2-chloro-7H-purin-3-ium-3-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
CID 58623724
N'-carbamimidoyl-5-[(2S,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazole-2-carboximidamide
CID 153141776

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5S)-4-fluoro-2-(hydroxymethyl)-5-(7H-purin-2-yl)oxolan-3-ol?
The IUPAC name of (2R,3R,4S,5S)-4-fluoro-2-(hydroxymethyl)-5-(7H-purin-2-yl)oxolan-3-ol (CID 141159197) is (2R,3R,4S,5S)-4-fluoro-2-(hydroxymethyl)-5-(7H-purin-2-yl)oxolan-3-ol.
What is the SMILES notation for (2R,3R,4S,5S)-4-fluoro-2-(hydroxymethyl)-5-(7H-purin-2-yl)oxolan-3-ol?
The canonical SMILES for (2R,3R,4S,5S)-4-fluoro-2-(hydroxymethyl)-5-(7H-purin-2-yl)oxolan-3-ol is OC[C@H]1O[C@@H](c2ncc3[nH]cnc3n2)[C@@H](F)[C@@H]1O.
What is the InChIKey of (2R,3R,4S,5S)-4-fluoro-2-(hydroxymethyl)-5-(7H-purin-2-yl)oxolan-3-ol?
The InChIKey is DIURZBITBDLLDI-ULAWRXDQSA-N. The full InChI is InChI=1S/C10H11FN4O3/c11-6-7(17)5(2-16)18-8(6)10-12-1-4-9(15-10)14-3-13-4/h1,3,5-8,16-17H,2H2,(H,12,13,14,15)/t5-,6+,7-,8-/m1/s1.
What are the key properties of (2R,3R,4S,5S)-4-fluoro-2-(hydroxymethyl)-5-(7H-purin-2-yl)oxolan-3-ol?
(2R,3R,4S,5S)-4-fluoro-2-(hydroxymethyl)-5-(7H-purin-2-yl)oxolan-3-ol has a molecular weight of 254.22 g/mol, XLogP of -0.52, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5S)-4-fluoro-2-(hydroxymethyl)-5-(7H-purin-2-yl)oxolan-3-ol is sourced from PubChem (CID 141159197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).