(2R,3R,4R,5R)-2-(hydroxymethyl)-5-(2,6,8-trifluoropurin-9-yl)oxolane-3,4-diol

C10H9F3N4O4 — CID 135258242

IUPAC(2R,3R,4R,5R)-2-(hydroxymethyl)-5-(2,6,8-trifluoropurin-9-yl)oxolane-3,4-diol
SMILESOC[C@H]1O[C@@H](n2c(F)nc3c(F)nc(F)nc32)[C@H](O)[C@H]1O
InChIInChI=1S/C10H9F3N4O4/c11-6-3-7(16-9(12)15-6)17(10(13)14-3)8-5(20)4(19)2(1-18)21-8/h2,4-5,8,18-20H,1H2/t2-,4+,5-,8-/m1/s1
InChIKeyRZAHTSKJMLEVRN-SAFLGMAISA-N
MW306.20 g/mol
LogP-1.14
Rot. Bonds2

About (2R,3R,4R,5R)-2-(hydroxymethyl)-5-(2,6,8-trifluoropurin-9-yl)oxolane-3,4-diol

(2R,3R,4R,5R)-2-(hydroxymethyl)-5-(2,6,8-trifluoropurin-9-yl)oxolane-3,4-diol (PubChem CID 135258242) has the molecular formula C10H9F3N4O4 and a molecular weight of 306.20 g/mol. Its IUPAC name is (2R,3R,4R,5R)-2-(hydroxymethyl)-5-(2,6,8-trifluoropurin-9-yl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R,5R)-2-(hydroxymethyl)-5-(2,6,8-trifluoropurin-9-yl)oxolane-3,4-diol
PubChem CID135258242
Molecular FormulaC10H9F3N4O4
Molecular Weight306.20 g/mol
Exact Mass306.06
IUPAC Name(2R,3R,4R,5R)-2-(hydroxymethyl)-5-(2,6,8-trifluoropurin-9-yl)oxolane-3,4-diol
SMILESOC[C@H]1O[C@@H](n2c(F)nc3c(F)nc(F)nc32)[C@H](O)[C@H]1O
InChIInChI=1S/C10H9F3N4O4/c11-6-3-7(16-9(12)15-6)17(10(13)14-3)8-5(20)4(19)2(1-18)21-8/h2,4-5,8,18-20H,1H2/t2-,4+,5-,8-/m1/s1
InChIKeyRZAHTSKJMLEVRN-SAFLGMAISA-N
XLogP-1.14
TPSA113.52 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.20
LogP ≤ 5-1.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze (2R,3R,4R,5R)-2-(hydroxymethyl)-5-(2,6,8-trifluoropurin-9-yl)oxolane-3,4-diol with MolForge

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Related Compounds

(2R,3R,4S,5R)-2-(8-fluoropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 102318068
(2R,3R,4S,5R)-2-(7-amino-5-fluorotriazolo[4,5-d]pyrimidin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 54041813
2-(6-amino-2-(18F)fluoropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 154716223
(2R,3R,4R,5S)-2-(6-amino-2-fluoropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 46936980
(2R,3R,4S,5R)-2-(6-amino-2-(18F)fluoropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 11150286
(3S)-2-(6-amino-2-fluoropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 171699513
(2R,3S,4S,5R)-2-(6-amino-2-fluoropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;phosphoric acid
CID 175069794
(2R,3R,4R,5R)-2-(hydroxymethyl)-5-(2,4,5-trichloroimidazol-1-yl)oxolane-3,4-diol
CID 3012552
(2R,3R,4S,5R)-2-(6-amino-8-bromo-2-iodopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 86592810
6,8-diamino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-2-one
CID 125495891
2-[2-fluoro-6-(piperidin-1-ylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 23367726
(3R,4S,5R)-2-(6,8-dimethylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 59070010

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R)-2-(hydroxymethyl)-5-(2,6,8-trifluoropurin-9-yl)oxolane-3,4-diol?
The IUPAC name of (2R,3R,4R,5R)-2-(hydroxymethyl)-5-(2,6,8-trifluoropurin-9-yl)oxolane-3,4-diol (CID 135258242) is (2R,3R,4R,5R)-2-(hydroxymethyl)-5-(2,6,8-trifluoropurin-9-yl)oxolane-3,4-diol.
What is the SMILES notation for (2R,3R,4R,5R)-2-(hydroxymethyl)-5-(2,6,8-trifluoropurin-9-yl)oxolane-3,4-diol?
The canonical SMILES for (2R,3R,4R,5R)-2-(hydroxymethyl)-5-(2,6,8-trifluoropurin-9-yl)oxolane-3,4-diol is OC[C@H]1O[C@@H](n2c(F)nc3c(F)nc(F)nc32)[C@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4R,5R)-2-(hydroxymethyl)-5-(2,6,8-trifluoropurin-9-yl)oxolane-3,4-diol?
The InChIKey is RZAHTSKJMLEVRN-SAFLGMAISA-N. The full InChI is InChI=1S/C10H9F3N4O4/c11-6-3-7(16-9(12)15-6)17(10(13)14-3)8-5(20)4(19)2(1-18)21-8/h2,4-5,8,18-20H,1H2/t2-,4+,5-,8-/m1/s1.
What are the key properties of (2R,3R,4R,5R)-2-(hydroxymethyl)-5-(2,6,8-trifluoropurin-9-yl)oxolane-3,4-diol?
(2R,3R,4R,5R)-2-(hydroxymethyl)-5-(2,6,8-trifluoropurin-9-yl)oxolane-3,4-diol has a molecular weight of 306.20 g/mol, XLogP of -1.14, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R)-2-(hydroxymethyl)-5-(2,6,8-trifluoropurin-9-yl)oxolane-3,4-diol is sourced from PubChem (CID 135258242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).