(1R,2R,3S,5S)-2-(6-chloropurin-9-yl)-3,5-bis(hydroxymethyl)cyclopentan-1-ol

C12H15ClN4O3 — CID 101423148

IUPAC(1R,2R,3S,5S)-2-(6-chloropurin-9-yl)-3,5-bis(hydroxymethyl)cyclopentan-1-ol
SMILESOC[C@@H]1C[C@H](CO)[C@@H](n2cnc3c(Cl)ncnc32)[C@@H]1O
InChIInChI=1S/C12H15ClN4O3/c13-11-8-12(15-4-14-11)17(5-16-8)9-6(2-18)1-7(3-19)10(9)20/h4-7,9-10,18-20H,1-3H2/t6-,7+,9-,10-/m1/s1
InChIKeyFLAQPYIEODBVCE-BKFJMODKSA-N
MW298.73 g/mol
LogP0.00
Rot. Bonds3

About (1R,2R,3S,5S)-2-(6-chloropurin-9-yl)-3,5-bis(hydroxymethyl)cyclopentan-1-ol

(1R,2R,3S,5S)-2-(6-chloropurin-9-yl)-3,5-bis(hydroxymethyl)cyclopentan-1-ol (PubChem CID 101423148) has the molecular formula C12H15ClN4O3 and a molecular weight of 298.73 g/mol. Its IUPAC name is (1R,2R,3S,5S)-2-(6-chloropurin-9-yl)-3,5-bis(hydroxymethyl)cyclopentan-1-ol.

Molecular Properties

Compound Name(1R,2R,3S,5S)-2-(6-chloropurin-9-yl)-3,5-bis(hydroxymethyl)cyclopentan-1-ol
PubChem CID101423148
Molecular FormulaC12H15ClN4O3
Molecular Weight298.73 g/mol
Exact Mass298.08
IUPAC Name(1R,2R,3S,5S)-2-(6-chloropurin-9-yl)-3,5-bis(hydroxymethyl)cyclopentan-1-ol
SMILESOC[C@@H]1C[C@H](CO)[C@@H](n2cnc3c(Cl)ncnc32)[C@@H]1O
InChIInChI=1S/C12H15ClN4O3/c13-11-8-12(15-4-14-11)17(5-16-8)9-6(2-18)1-7(3-19)10(9)20/h4-7,9-10,18-20H,1-3H2/t6-,7+,9-,10-/m1/s1
InChIKeyFLAQPYIEODBVCE-BKFJMODKSA-N
XLogP0.00
TPSA104.29 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.73
LogP ≤ 50.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (1R,2R,3S,5S)-2-(6-chloropurin-9-yl)-3,5-bis(hydroxymethyl)cyclopentan-1-ol with MolForge

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Related Compounds

(4R)-4-(6-chloropurin-9-yl)-2-(hydroxymethyl)cyclopentan-1-ol
CID 87802918
[3-(6-chloropurin-9-yl)cyclobutyl]methanol
CID 14781912
(2R,3S,5R)-5-(6-chloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 10588282
[(2R,3S)-2-(6-chloropurin-9-yl)thiolan-3-yl]methanol
CID 10468389
(2R,3R,4R,5R)-2-(6-chloropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 12810918
6-(chloromethyl)-3-(6-chloropurin-9-yl)bicyclo[2.2.1]hept-5-en-2-ol
CID 25123037
4-(6-chloropurin-9-yl)cyclopent-2-en-1-ol
CID 10999010
3-(6-chloropurin-9-yl)-1-(hydroxymethyl)bicyclo[3.2.1]octan-8-ol
CID 134844933
(2R,3R,4S,5R)-5-(6-chloropurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
CID 10517505
(1R,3R,5R)-3-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol
CID 159888953
[4-(6-chloropurin-9-yl)-1,3-dioxolan-2-yl]methanol
CID 21145902
(1R,2S,5R)-3-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol
CID 146602862

Frequently Asked Questions

What is the IUPAC name of (1R,2R,3S,5S)-2-(6-chloropurin-9-yl)-3,5-bis(hydroxymethyl)cyclopentan-1-ol?
The IUPAC name of (1R,2R,3S,5S)-2-(6-chloropurin-9-yl)-3,5-bis(hydroxymethyl)cyclopentan-1-ol (CID 101423148) is (1R,2R,3S,5S)-2-(6-chloropurin-9-yl)-3,5-bis(hydroxymethyl)cyclopentan-1-ol.
What is the SMILES notation for (1R,2R,3S,5S)-2-(6-chloropurin-9-yl)-3,5-bis(hydroxymethyl)cyclopentan-1-ol?
The canonical SMILES for (1R,2R,3S,5S)-2-(6-chloropurin-9-yl)-3,5-bis(hydroxymethyl)cyclopentan-1-ol is OC[C@@H]1C[C@H](CO)[C@@H](n2cnc3c(Cl)ncnc32)[C@@H]1O.
What is the InChIKey of (1R,2R,3S,5S)-2-(6-chloropurin-9-yl)-3,5-bis(hydroxymethyl)cyclopentan-1-ol?
The InChIKey is FLAQPYIEODBVCE-BKFJMODKSA-N. The full InChI is InChI=1S/C12H15ClN4O3/c13-11-8-12(15-4-14-11)17(5-16-8)9-6(2-18)1-7(3-19)10(9)20/h4-7,9-10,18-20H,1-3H2/t6-,7+,9-,10-/m1/s1.
What are the key properties of (1R,2R,3S,5S)-2-(6-chloropurin-9-yl)-3,5-bis(hydroxymethyl)cyclopentan-1-ol?
(1R,2R,3S,5S)-2-(6-chloropurin-9-yl)-3,5-bis(hydroxymethyl)cyclopentan-1-ol has a molecular weight of 298.73 g/mol, XLogP of 0.00, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3S,5S)-2-(6-chloropurin-9-yl)-3,5-bis(hydroxymethyl)cyclopentan-1-ol is sourced from PubChem (CID 101423148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).