2-[(2S,3R)-3-(6-chloropurin-9-yl)oxolan-2-yl]ethanol

C11H13ClN4O2 — CID 102417514

IUPAC2-[(2S,3R)-3-(6-chloropurin-9-yl)oxolan-2-yl]ethanol
SMILESOCC[C@@H]1OCC[C@H]1n1cnc2c(Cl)ncnc21
InChIInChI=1S/C11H13ClN4O2/c12-10-9-11(14-5-13-10)16(6-15-9)7-2-4-18-8(7)1-3-17/h5-8,17H,1-4H2/t7-,8+/m1/s1
InChIKeyXNUCLGAANWUQBW-SFYZADRCSA-N
MW268.70 g/mol
LogP1.19
Rot. Bonds3

About 2-[(2S,3R)-3-(6-chloropurin-9-yl)oxolan-2-yl]ethanol

2-[(2S,3R)-3-(6-chloropurin-9-yl)oxolan-2-yl]ethanol (PubChem CID 102417514) has the molecular formula C11H13ClN4O2 and a molecular weight of 268.70 g/mol. Its IUPAC name is 2-[(2S,3R)-3-(6-chloropurin-9-yl)oxolan-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2S,3R)-3-(6-chloropurin-9-yl)oxolan-2-yl]ethanol
PubChem CID102417514
Molecular FormulaC11H13ClN4O2
Molecular Weight268.70 g/mol
Exact Mass268.07
IUPAC Name2-[(2S,3R)-3-(6-chloropurin-9-yl)oxolan-2-yl]ethanol
SMILESOCC[C@@H]1OCC[C@H]1n1cnc2c(Cl)ncnc21
InChIInChI=1S/C11H13ClN4O2/c12-10-9-11(14-5-13-10)16(6-15-9)7-2-4-18-8(7)1-3-17/h5-8,17H,1-4H2/t7-,8+/m1/s1
InChIKeyXNUCLGAANWUQBW-SFYZADRCSA-N
XLogP1.19
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.70
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(2S,3R)-3-(6-chloropurin-9-yl)oxolan-2-yl]ethanol with MolForge

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Related Compounds

6-chloro-9-[(2S,3S)-2-(2-phenylmethoxyethyl)oxolan-3-yl]purine
CID 100985058
tert-butyl-[2-[(2S,3R)-3-(6-chloropurin-9-yl)oxolan-2-yl]ethoxy]-diphenylsilane
CID 134835032
[3-(6-chloropurin-9-yl)cyclobutyl]methanol
CID 14781912
(2R,3S,5R)-5-(6-chloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 10588282
[4-(6-chloropurin-9-yl)-1,3-dioxolan-2-yl]methanol
CID 21145902
(2R,3R,4R,5R)-2-(6-chloropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 12810918
[(2S,4R)-4-(6-chloropurin-9-yl)-1,3-oxathiolan-2-yl]methanol
CID 54345493
9-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-6-chloropurine
CID 56676591
(4R)-4-(6-chloropurin-9-yl)-2-(hydroxymethyl)cyclopentan-1-ol
CID 87802918
[(2R,3S)-2-(6-chloropurin-9-yl)thiolan-3-yl]methanol
CID 10468389
[(1S,2S,4R,5R)-4-(6-chloropurin-9-yl)-3-oxabicyclo[3.2.0]hept-6-en-2-yl]methanol
CID 53375978
6-chloro-9-(3-methylcyclopentyl)purine
CID 171628994

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,3R)-3-(6-chloropurin-9-yl)oxolan-2-yl]ethanol?
The IUPAC name of 2-[(2S,3R)-3-(6-chloropurin-9-yl)oxolan-2-yl]ethanol (CID 102417514) is 2-[(2S,3R)-3-(6-chloropurin-9-yl)oxolan-2-yl]ethanol.
What is the SMILES notation for 2-[(2S,3R)-3-(6-chloropurin-9-yl)oxolan-2-yl]ethanol?
The canonical SMILES for 2-[(2S,3R)-3-(6-chloropurin-9-yl)oxolan-2-yl]ethanol is OCC[C@@H]1OCC[C@H]1n1cnc2c(Cl)ncnc21.
What is the InChIKey of 2-[(2S,3R)-3-(6-chloropurin-9-yl)oxolan-2-yl]ethanol?
The InChIKey is XNUCLGAANWUQBW-SFYZADRCSA-N. The full InChI is InChI=1S/C11H13ClN4O2/c12-10-9-11(14-5-13-10)16(6-15-9)7-2-4-18-8(7)1-3-17/h5-8,17H,1-4H2/t7-,8+/m1/s1.
What are the key properties of 2-[(2S,3R)-3-(6-chloropurin-9-yl)oxolan-2-yl]ethanol?
2-[(2S,3R)-3-(6-chloropurin-9-yl)oxolan-2-yl]ethanol has a molecular weight of 268.70 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,3R)-3-(6-chloropurin-9-yl)oxolan-2-yl]ethanol is sourced from PubChem (CID 102417514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).