(2R,3S,5R)-5-(6-chloropurin-9-yl)-2-methyloxolan-3-ol

C10H11ClN4O2 — CID 10706154

IUPAC(2R,3S,5R)-5-(6-chloropurin-9-yl)-2-methyloxolan-3-ol
SMILESC[C@H]1O[C@@H](n2cnc3c(Cl)ncnc32)C[C@@H]1O
InChIInChI=1S/C10H11ClN4O2/c1-5-6(16)2-7(17-5)15-4-14-8-9(11)12-3-13-10(8)15/h3-7,16H,2H2,1H3/t5-,6+,7-/m1/s1
InChIKeyKVCXAIANQANTNQ-DSYKOEDSSA-N
MW254.68 g/mol
LogP1.15
Rot. Bonds1

About (2R,3S,5R)-5-(6-chloropurin-9-yl)-2-methyloxolan-3-ol

(2R,3S,5R)-5-(6-chloropurin-9-yl)-2-methyloxolan-3-ol (PubChem CID 10706154) has the molecular formula C10H11ClN4O2 and a molecular weight of 254.68 g/mol. Its IUPAC name is (2R,3S,5R)-5-(6-chloropurin-9-yl)-2-methyloxolan-3-ol.

Molecular Properties

Compound Name(2R,3S,5R)-5-(6-chloropurin-9-yl)-2-methyloxolan-3-ol
PubChem CID10706154
Molecular FormulaC10H11ClN4O2
Molecular Weight254.68 g/mol
Exact Mass254.06
IUPAC Name(2R,3S,5R)-5-(6-chloropurin-9-yl)-2-methyloxolan-3-ol
SMILESC[C@H]1O[C@@H](n2cnc3c(Cl)ncnc32)C[C@@H]1O
InChIInChI=1S/C10H11ClN4O2/c1-5-6(16)2-7(17-5)15-4-14-8-9(11)12-3-13-10(8)15/h3-7,16H,2H2,1H3/t5-,6+,7-/m1/s1
InChIKeyKVCXAIANQANTNQ-DSYKOEDSSA-N
XLogP1.15
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.68
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,3S,5R)-5-(6-chloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 10588282
(2R,3S,4S,6R)-2-methyl-6-(6-methylpurin-9-yl)oxane-3,4-diol
CID 46181793
4-[[9-[(2R,4R,5R)-4-hydroxy-5-methyloxolan-2-yl]purin-6-yl]amino]butane-1,2,3-triol
CID 90981604
[4-(6-chloropurin-9-yl)-1,3-dioxolan-2-yl]methanol
CID 21145902
9-[(4aR,6R,7aS)-2,2-ditert-butyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-6-yl]-6-chloropurine
CID 140822398
6-chloro-9-[(2R,3S,4R,5R)-3,4-dideuterio-5-(methoxymethyl)oxolan-2-yl]purine
CID 150598800
6-chloro-9-(3-methylcyclopentyl)purine
CID 171628994
4-(6-chloropurin-9-yl)cyclopent-2-en-1-ol
CID 10999010
[(2R,3R,5R)-5-(6-chloropurin-9-yl)-2-(methoxymethyl)oxolan-3-yl] acetate
CID 91374069
5-(6-chloropurin-9-yl)-4-methyloxolane-2-carbaldehyde
CID 156542752
6-chloro-9-[(2R,5R)-5-ethyl-3-fluorooxolan-2-yl]purine
CID 59964788
[3-(6-chloropurin-9-yl)cyclobutyl]methanol
CID 14781912

Frequently Asked Questions

What is the IUPAC name of (2R,3S,5R)-5-(6-chloropurin-9-yl)-2-methyloxolan-3-ol?
The IUPAC name of (2R,3S,5R)-5-(6-chloropurin-9-yl)-2-methyloxolan-3-ol (CID 10706154) is (2R,3S,5R)-5-(6-chloropurin-9-yl)-2-methyloxolan-3-ol.
What is the SMILES notation for (2R,3S,5R)-5-(6-chloropurin-9-yl)-2-methyloxolan-3-ol?
The canonical SMILES for (2R,3S,5R)-5-(6-chloropurin-9-yl)-2-methyloxolan-3-ol is C[C@H]1O[C@@H](n2cnc3c(Cl)ncnc32)C[C@@H]1O.
What is the InChIKey of (2R,3S,5R)-5-(6-chloropurin-9-yl)-2-methyloxolan-3-ol?
The InChIKey is KVCXAIANQANTNQ-DSYKOEDSSA-N. The full InChI is InChI=1S/C10H11ClN4O2/c1-5-6(16)2-7(17-5)15-4-14-8-9(11)12-3-13-10(8)15/h3-7,16H,2H2,1H3/t5-,6+,7-/m1/s1.
What are the key properties of (2R,3S,5R)-5-(6-chloropurin-9-yl)-2-methyloxolan-3-ol?
(2R,3S,5R)-5-(6-chloropurin-9-yl)-2-methyloxolan-3-ol has a molecular weight of 254.68 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5R)-5-(6-chloropurin-9-yl)-2-methyloxolan-3-ol is sourced from PubChem (CID 10706154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).