[(2R,3S)-2-(6-chloropurin-9-yl)thiolan-3-yl]methanol

C10H11ClN4OS — CID 10468389

IUPAC[(2R,3S)-2-(6-chloropurin-9-yl)thiolan-3-yl]methanol
SMILESOC[C@@H]1CCS[C@H]1n1cnc2c(Cl)ncnc21
InChIInChI=1S/C10H11ClN4OS/c11-8-7-9(13-4-12-8)15(5-14-7)10-6(3-16)1-2-17-10/h4-6,10,16H,1-3H2/t6-,10+/m0/s1
InChIKeyJPKTXTHIJCACCJ-QUBYGPBYSA-N
MW270.75 g/mol
LogP1.72
Rot. Bonds2

About [(2R,3S)-2-(6-chloropurin-9-yl)thiolan-3-yl]methanol

[(2R,3S)-2-(6-chloropurin-9-yl)thiolan-3-yl]methanol (PubChem CID 10468389) has the molecular formula C10H11ClN4OS and a molecular weight of 270.75 g/mol. Its IUPAC name is [(2R,3S)-2-(6-chloropurin-9-yl)thiolan-3-yl]methanol.

Molecular Properties

Compound Name[(2R,3S)-2-(6-chloropurin-9-yl)thiolan-3-yl]methanol
PubChem CID10468389
Molecular FormulaC10H11ClN4OS
Molecular Weight270.75 g/mol
Exact Mass270.03
IUPAC Name[(2R,3S)-2-(6-chloropurin-9-yl)thiolan-3-yl]methanol
SMILESOC[C@@H]1CCS[C@H]1n1cnc2c(Cl)ncnc21
InChIInChI=1S/C10H11ClN4OS/c11-8-7-9(13-4-12-8)15(5-14-7)10-6(3-16)1-2-17-10/h4-6,10,16H,1-3H2/t6-,10+/m0/s1
InChIKeyJPKTXTHIJCACCJ-QUBYGPBYSA-N
XLogP1.72
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.75
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4R)-4-(6-chloropurin-9-yl)-2-(hydroxymethyl)cyclopentan-1-ol
CID 87802918
(1R,2R,3S,5S)-2-(6-chloropurin-9-yl)-3,5-bis(hydroxymethyl)cyclopentan-1-ol
CID 101423148
[3-(6-chloropurin-9-yl)cyclobutyl]methanol
CID 14781912
[(1S,2R)-2-[(6-chloropurin-9-yl)methyl]cyclopentyl]methanol
CID 15450648
[(2S,4R)-4-(6-chloropurin-9-yl)-1,3-oxathiolan-2-yl]methanol
CID 54345493
(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
[(3R,4R,5S)-5-(6-aminopurin-9-yl)-4-(hydroxymethyl)thiolan-3-yl]methanol
CID 102087244
9-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-6-chloropurine
CID 56676591
2-[(2S,3R)-3-(6-chloropurin-9-yl)oxolan-2-yl]ethanol
CID 102417514
[(1S,2S,4R,5R)-4-(6-chloropurin-9-yl)-3-oxabicyclo[3.2.0]hept-6-en-2-yl]methanol
CID 53375978

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-2-(6-chloropurin-9-yl)thiolan-3-yl]methanol?
The IUPAC name of [(2R,3S)-2-(6-chloropurin-9-yl)thiolan-3-yl]methanol (CID 10468389) is [(2R,3S)-2-(6-chloropurin-9-yl)thiolan-3-yl]methanol.
What is the SMILES notation for [(2R,3S)-2-(6-chloropurin-9-yl)thiolan-3-yl]methanol?
The canonical SMILES for [(2R,3S)-2-(6-chloropurin-9-yl)thiolan-3-yl]methanol is OC[C@@H]1CCS[C@H]1n1cnc2c(Cl)ncnc21.
What is the InChIKey of [(2R,3S)-2-(6-chloropurin-9-yl)thiolan-3-yl]methanol?
The InChIKey is JPKTXTHIJCACCJ-QUBYGPBYSA-N. The full InChI is InChI=1S/C10H11ClN4OS/c11-8-7-9(13-4-12-8)15(5-14-7)10-6(3-16)1-2-17-10/h4-6,10,16H,1-3H2/t6-,10+/m0/s1.
What are the key properties of [(2R,3S)-2-(6-chloropurin-9-yl)thiolan-3-yl]methanol?
[(2R,3S)-2-(6-chloropurin-9-yl)thiolan-3-yl]methanol has a molecular weight of 270.75 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-2-(6-chloropurin-9-yl)thiolan-3-yl]methanol is sourced from PubChem (CID 10468389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).