(2R,3S,5S)-5-(6-chloro-7H-purin-8-yl)-2-(hydroxymethyl)oxolan-3-ol

C10H11ClN4O3 — CID 124679420

IUPAC(2R,3S,5S)-5-(6-chloro-7H-purin-8-yl)-2-(hydroxymethyl)oxolan-3-ol
SMILESOC[C@H]1O[C@H](c2nc3ncnc(Cl)c3[nH]2)C[C@@H]1O
InChIInChI=1S/C10H11ClN4O3/c11-8-7-10(13-3-12-8)15-9(14-7)5-1-4(17)6(2-16)18-5/h3-6,16-17H,1-2H2,(H,12,13,14,15)/t4-,5-,6+/m0/s1
InChIKeyKJKLEZXDWNIDDY-HCWXCVPCSA-N
MW270.68 g/mol
LogP0.19
Rot. Bonds2

About (2R,3S,5S)-5-(6-chloro-7H-purin-8-yl)-2-(hydroxymethyl)oxolan-3-ol

(2R,3S,5S)-5-(6-chloro-7H-purin-8-yl)-2-(hydroxymethyl)oxolan-3-ol (PubChem CID 124679420) has the molecular formula C10H11ClN4O3 and a molecular weight of 270.68 g/mol. Its IUPAC name is (2R,3S,5S)-5-(6-chloro-7H-purin-8-yl)-2-(hydroxymethyl)oxolan-3-ol.

Molecular Properties

Compound Name(2R,3S,5S)-5-(6-chloro-7H-purin-8-yl)-2-(hydroxymethyl)oxolan-3-ol
PubChem CID124679420
Molecular FormulaC10H11ClN4O3
Molecular Weight270.68 g/mol
Exact Mass270.05
IUPAC Name(2R,3S,5S)-5-(6-chloro-7H-purin-8-yl)-2-(hydroxymethyl)oxolan-3-ol
SMILESOC[C@H]1O[C@H](c2nc3ncnc(Cl)c3[nH]2)C[C@@H]1O
InChIInChI=1S/C10H11ClN4O3/c11-8-7-10(13-3-12-8)15-9(14-7)5-1-4(17)6(2-16)18-5/h3-6,16-17H,1-2H2,(H,12,13,14,15)/t4-,5-,6+/m0/s1
InChIKeyKJKLEZXDWNIDDY-HCWXCVPCSA-N
XLogP0.19
TPSA104.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.68
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-1,3,5-triazin-2-one
CID 174215648
2-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazole-5-carboxamide
CID 67354949
2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 142087831
(2R,3S,5R)-5-(7-amino-2H-pyrazolo[4,3-d]pyrimidin-3-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 512707
(2R,3S,5R)-5-(2-chloro-6-methyl-3-pyridinyl)-2-(hydroxymethyl)oxolan-3-ol
CID 71762520
(2R,3S,5S)-5-(5-chloro-1H-indol-2-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 54757675
(2S,3R,5S)-5-(8-amino-6-chloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 87921648
4-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-methyl-3H-pteridin-2-one
CID 67727609
(2R,3S,5R)-5-(2-chloro-6-pyridin-2-yl-3-pyridinyl)-2-(hydroxymethyl)oxolan-3-ol
CID 71763397
(2R,3S,5R)-5-(6-chloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 10588282
(2R,3S,5R)-5-(2,4-diaminopyrimidin-5-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 46242438
2-(6-chloro-7H-purin-8-yl)propan-2-ol
CID 119092431

Frequently Asked Questions

What is the IUPAC name of (2R,3S,5S)-5-(6-chloro-7H-purin-8-yl)-2-(hydroxymethyl)oxolan-3-ol?
The IUPAC name of (2R,3S,5S)-5-(6-chloro-7H-purin-8-yl)-2-(hydroxymethyl)oxolan-3-ol (CID 124679420) is (2R,3S,5S)-5-(6-chloro-7H-purin-8-yl)-2-(hydroxymethyl)oxolan-3-ol.
What is the SMILES notation for (2R,3S,5S)-5-(6-chloro-7H-purin-8-yl)-2-(hydroxymethyl)oxolan-3-ol?
The canonical SMILES for (2R,3S,5S)-5-(6-chloro-7H-purin-8-yl)-2-(hydroxymethyl)oxolan-3-ol is OC[C@H]1O[C@H](c2nc3ncnc(Cl)c3[nH]2)C[C@@H]1O.
What is the InChIKey of (2R,3S,5S)-5-(6-chloro-7H-purin-8-yl)-2-(hydroxymethyl)oxolan-3-ol?
The InChIKey is KJKLEZXDWNIDDY-HCWXCVPCSA-N. The full InChI is InChI=1S/C10H11ClN4O3/c11-8-7-10(13-3-12-8)15-9(14-7)5-1-4(17)6(2-16)18-5/h3-6,16-17H,1-2H2,(H,12,13,14,15)/t4-,5-,6+/m0/s1.
What are the key properties of (2R,3S,5S)-5-(6-chloro-7H-purin-8-yl)-2-(hydroxymethyl)oxolan-3-ol?
(2R,3S,5S)-5-(6-chloro-7H-purin-8-yl)-2-(hydroxymethyl)oxolan-3-ol has a molecular weight of 270.68 g/mol, XLogP of 0.19, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5S)-5-(6-chloro-7H-purin-8-yl)-2-(hydroxymethyl)oxolan-3-ol is sourced from PubChem (CID 124679420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).