(2R,5S)-2-(6-aminopurin-9-yl)-5-(methylsulfanylmethyl)oxolan-3-ol

C11H15N5O2S — CID 91227656

IUPAC(2R,5S)-2-(6-aminopurin-9-yl)-5-(methylsulfanylmethyl)oxolan-3-ol
SMILESCSC[C@@H]1CC(O)[C@H](n2cnc3c(N)ncnc32)O1
InChIInChI=1S/C11H15N5O2S/c1-19-3-6-2-7(17)11(18-6)16-5-15-8-9(12)13-4-14-10(8)16/h4-7,11,17H,2-3H2,1H3,(H2,12,13,14)/t6-,7?,11+/m0/s1
InChIKeyKLTQZXHABWFANM-NSMOOJLNSA-N
MW281.34 g/mol
LogP0.42
Rot. Bonds3

About (2R,5S)-2-(6-aminopurin-9-yl)-5-(methylsulfanylmethyl)oxolan-3-ol

(2R,5S)-2-(6-aminopurin-9-yl)-5-(methylsulfanylmethyl)oxolan-3-ol (PubChem CID 91227656) has the molecular formula C11H15N5O2S and a molecular weight of 281.34 g/mol. Its IUPAC name is (2R,5S)-2-(6-aminopurin-9-yl)-5-(methylsulfanylmethyl)oxolan-3-ol.

Molecular Properties

Compound Name(2R,5S)-2-(6-aminopurin-9-yl)-5-(methylsulfanylmethyl)oxolan-3-ol
PubChem CID91227656
Molecular FormulaC11H15N5O2S
Molecular Weight281.34 g/mol
Exact Mass281.09
IUPAC Name(2R,5S)-2-(6-aminopurin-9-yl)-5-(methylsulfanylmethyl)oxolan-3-ol
SMILESCSC[C@@H]1CC(O)[C@H](n2cnc3c(N)ncnc32)O1
InChIInChI=1S/C11H15N5O2S/c1-19-3-6-2-7(17)11(18-6)16-5-15-8-9(12)13-4-14-10(8)16/h4-7,11,17H,2-3H2,1H3,(H2,12,13,14)/t6-,7?,11+/m0/s1
InChIKeyKLTQZXHABWFANM-NSMOOJLNSA-N
XLogP0.42
TPSA99.08 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

magnesium;(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol;hydride
CID 174820086
(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-(prop-1-en-2-yloxymethyl)oxolan-3-ol
CID 155058716
(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-ol
CID 14192244
2-(6-aminopurin-9-yl)-5-(phosphorosomethoxymethyl)oxolan-3-ol
CID 175453370
(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-(dihydroxyphosphinothioyloxymethyl)oxolan-3-ol
CID 155062621
[5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]methyl propan-2-yl hydrogen phosphite
CID 144900448
(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol;diphosphono hydrogen phosphate
CID 174741919
[(2S,4S,5R)-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
CID 173002973
[(2S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]methyl octanoate
CID 66553231
[(2S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;tris(N,N-diethylethanamine)
CID 175689226
bis[[5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]oxy]-hydroxy-methoxyphosphanium
CID 171428862
9-[3-hydroperoxy-5-(hydroperoxymethyl)oxolan-2-yl]purin-6-amine
CID 88990119

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-2-(6-aminopurin-9-yl)-5-(methylsulfanylmethyl)oxolan-3-ol?
The IUPAC name of (2R,5S)-2-(6-aminopurin-9-yl)-5-(methylsulfanylmethyl)oxolan-3-ol (CID 91227656) is (2R,5S)-2-(6-aminopurin-9-yl)-5-(methylsulfanylmethyl)oxolan-3-ol.
What is the SMILES notation for (2R,5S)-2-(6-aminopurin-9-yl)-5-(methylsulfanylmethyl)oxolan-3-ol?
The canonical SMILES for (2R,5S)-2-(6-aminopurin-9-yl)-5-(methylsulfanylmethyl)oxolan-3-ol is CSC[C@@H]1CC(O)[C@H](n2cnc3c(N)ncnc32)O1.
What is the InChIKey of (2R,5S)-2-(6-aminopurin-9-yl)-5-(methylsulfanylmethyl)oxolan-3-ol?
The InChIKey is KLTQZXHABWFANM-NSMOOJLNSA-N. The full InChI is InChI=1S/C11H15N5O2S/c1-19-3-6-2-7(17)11(18-6)16-5-15-8-9(12)13-4-14-10(8)16/h4-7,11,17H,2-3H2,1H3,(H2,12,13,14)/t6-,7?,11+/m0/s1.
What are the key properties of (2R,5S)-2-(6-aminopurin-9-yl)-5-(methylsulfanylmethyl)oxolan-3-ol?
(2R,5S)-2-(6-aminopurin-9-yl)-5-(methylsulfanylmethyl)oxolan-3-ol has a molecular weight of 281.34 g/mol, XLogP of 0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-2-(6-aminopurin-9-yl)-5-(methylsulfanylmethyl)oxolan-3-ol is sourced from PubChem (CID 91227656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).