(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-methylsulfanyloxolan-3-ol

C11H15N5O3S — CID 157231631

IUPAC(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-methylsulfanyloxolan-3-ol
SMILESCSC1[C@@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)ncnc21
InChIInChI=1S/C11H15N5O3S/c1-20-8-7(18)5(2-17)19-11(8)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7+,8?,11-/m1/s1
InChIKeyKXLYDMYMNDAXPA-INWNYVOZSA-N
MW297.34 g/mol
LogP-0.61
Rot. Bonds3

About (2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-methylsulfanyloxolan-3-ol

(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-methylsulfanyloxolan-3-ol (PubChem CID 157231631) has the molecular formula C11H15N5O3S and a molecular weight of 297.34 g/mol. Its IUPAC name is (2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-methylsulfanyloxolan-3-ol.

Molecular Properties

Compound Name(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-methylsulfanyloxolan-3-ol
PubChem CID157231631
Molecular FormulaC11H15N5O3S
Molecular Weight297.34 g/mol
Exact Mass297.09
IUPAC Name(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-methylsulfanyloxolan-3-ol
SMILESCSC1[C@@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)ncnc21
InChIInChI=1S/C11H15N5O3S/c1-20-8-7(18)5(2-17)19-11(8)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7+,8?,11-/m1/s1
InChIKeyKXLYDMYMNDAXPA-INWNYVOZSA-N
XLogP-0.61
TPSA119.31 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 5-0.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

(2S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 163837057
2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 191
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 23279550
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolane-3,4-diol
CID 123223819
(2R,3R,4S,5R)-2-(6-(15N)azanylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 11129405
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;phosphane
CID 158226828
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;chromium
CID 87862906
2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;hydrochloride
CID 18755237
(2R,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;hydrochloride
CID 68808455
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol azide
CID 89464553
(2R,5R)-5-(6-aminopurin-9-yl)-4-bromo-2-(hydroxymethyl)oxolan-3-ol
CID 57111415
(2R,3R,4S,5R)-5-(6-aminopurin-9-yl)-4-bromo-2-(hydroxymethyl)oxolan-3-ol
CID 14805334

Frequently Asked Questions

What is the IUPAC name of (2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-methylsulfanyloxolan-3-ol?
The IUPAC name of (2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-methylsulfanyloxolan-3-ol (CID 157231631) is (2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-methylsulfanyloxolan-3-ol.
What is the SMILES notation for (2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-methylsulfanyloxolan-3-ol?
The canonical SMILES for (2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-methylsulfanyloxolan-3-ol is CSC1[C@@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)ncnc21.
What is the InChIKey of (2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-methylsulfanyloxolan-3-ol?
The InChIKey is KXLYDMYMNDAXPA-INWNYVOZSA-N. The full InChI is InChI=1S/C11H15N5O3S/c1-20-8-7(18)5(2-17)19-11(8)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7+,8?,11-/m1/s1.
What are the key properties of (2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-methylsulfanyloxolan-3-ol?
(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-methylsulfanyloxolan-3-ol has a molecular weight of 297.34 g/mol, XLogP of -0.61, 3 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-methylsulfanyloxolan-3-ol is sourced from PubChem (CID 157231631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).