(2R,3R,4S,5R)-2-(8-fluoropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol

C10H11FN4O4 — CID 102318068

IUPAC(2R,3R,4S,5R)-2-(8-fluoropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
SMILESOC[C@H]1O[C@@H](n2c(F)nc3cncnc32)[C@H](O)[C@@H]1O
InChIInChI=1S/C10H11FN4O4/c11-10-14-4-1-12-3-13-8(4)15(10)9-7(18)6(17)5(2-16)19-9/h1,3,5-7,9,16-18H,2H2/t5-,6-,7-,9-/m1/s1
InChIKeyKMCSRSRXZHVRNY-JXOAFFINSA-N
MW270.22 g/mol
LogP-1.42
Rot. Bonds2

About (2R,3R,4S,5R)-2-(8-fluoropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol

(2R,3R,4S,5R)-2-(8-fluoropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol (PubChem CID 102318068) has the molecular formula C10H11FN4O4 and a molecular weight of 270.22 g/mol. Its IUPAC name is (2R,3R,4S,5R)-2-(8-fluoropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4S,5R)-2-(8-fluoropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
PubChem CID102318068
Molecular FormulaC10H11FN4O4
Molecular Weight270.22 g/mol
Exact Mass270.08
IUPAC Name(2R,3R,4S,5R)-2-(8-fluoropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
SMILESOC[C@H]1O[C@@H](n2c(F)nc3cncnc32)[C@H](O)[C@@H]1O
InChIInChI=1S/C10H11FN4O4/c11-10-14-4-1-12-3-13-8(4)15(10)9-7(18)6(17)5(2-16)19-9/h1,3,5-7,9,16-18H,2H2/t5-,6-,7-,9-/m1/s1
InChIKeyKMCSRSRXZHVRNY-JXOAFFINSA-N
XLogP-1.42
TPSA113.52 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.22
LogP ≤ 5-1.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

(2S,3R,4R,5R)-2-(hydroxymethyl)-5-purin-9-yloxolane-3,4-diol
CID 676112
(2R,3R,4S,5R)-2-[8-(heptylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 70388377
(2S,3R,4R,5R)-2-(hydroxymethyl)-5-pyrrolo[2,3-d]pyrimidin-7-yloxolane-3,4-diol
CID 142650218
(2R,3S,4S)-2-(hydroxymethyl)-5-pyrrolo[2,3-d]pyrimidin-7-yloxolane-3,4-diol
CID 70508300
(2R,3R,4R,5R)-4-fluoro-2-(hydroxymethyl)-5-purin-9-yloxolan-3-ol
CID 56980111
(2R,3R,4R,5R)-2-(hydroxymethyl)-5-(2,6,8-trifluoropurin-9-yl)oxolane-3,4-diol
CID 135258242
(2R,3R,4S,5R)-4-fluoro-2-(hydroxymethyl)-5-pyrrolo[2,3-d]pyrimidin-7-yloxolan-3-ol
CID 90689612
(3R,4S,5R)-2-(6,8-dimethylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 59070010
(2S,3R,4S,5R)-2-(6-amino-8-bromopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 7166681
(2R,3R,4S,5R)-2-[6,8-bis(methylsulfanyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 57292200
(3R,4S,5R)-2-(4,6-dimethylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 118636138
(2R,3R,4S,5R)-2-[6-amino-8-[chloro(difluoro)methyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 139600941

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R)-2-(8-fluoropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol?
The IUPAC name of (2R,3R,4S,5R)-2-(8-fluoropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol (CID 102318068) is (2R,3R,4S,5R)-2-(8-fluoropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol.
What is the SMILES notation for (2R,3R,4S,5R)-2-(8-fluoropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol?
The canonical SMILES for (2R,3R,4S,5R)-2-(8-fluoropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol is OC[C@H]1O[C@@H](n2c(F)nc3cncnc32)[C@H](O)[C@@H]1O.
What is the InChIKey of (2R,3R,4S,5R)-2-(8-fluoropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol?
The InChIKey is KMCSRSRXZHVRNY-JXOAFFINSA-N. The full InChI is InChI=1S/C10H11FN4O4/c11-10-14-4-1-12-3-13-8(4)15(10)9-7(18)6(17)5(2-16)19-9/h1,3,5-7,9,16-18H,2H2/t5-,6-,7-,9-/m1/s1.
What are the key properties of (2R,3R,4S,5R)-2-(8-fluoropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol?
(2R,3R,4S,5R)-2-(8-fluoropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol has a molecular weight of 270.22 g/mol, XLogP of -1.42, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R)-2-(8-fluoropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol is sourced from PubChem (CID 102318068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).