[(3R,4R,5S)-5-(6-aminopurin-9-yl)-4-(hydroxymethyl)thiolan-3-yl]methanol

C11H15N5O2S — CID 102087244

IUPAC[(3R,4R,5S)-5-(6-aminopurin-9-yl)-4-(hydroxymethyl)thiolan-3-yl]methanol
SMILESNc1ncnc2c1ncn2[C@H]1SC[C@@H](CO)[C@@H]1CO
InChIInChI=1S/C11H15N5O2S/c12-9-8-10(14-4-13-9)16(5-15-8)11-7(2-18)6(1-17)3-19-11/h4-7,11,17-18H,1-3H2,(H2,12,13,14)/t6-,7+,11+/m1/s1
InChIKeyPMHKBQKMPQSXRM-BUYFANAVSA-N
MW281.34 g/mol
LogP-0.13
Rot. Bonds3

About [(3R,4R,5S)-5-(6-aminopurin-9-yl)-4-(hydroxymethyl)thiolan-3-yl]methanol

[(3R,4R,5S)-5-(6-aminopurin-9-yl)-4-(hydroxymethyl)thiolan-3-yl]methanol (PubChem CID 102087244) has the molecular formula C11H15N5O2S and a molecular weight of 281.34 g/mol. Its IUPAC name is [(3R,4R,5S)-5-(6-aminopurin-9-yl)-4-(hydroxymethyl)thiolan-3-yl]methanol.

Molecular Properties

Compound Name[(3R,4R,5S)-5-(6-aminopurin-9-yl)-4-(hydroxymethyl)thiolan-3-yl]methanol
PubChem CID102087244
Molecular FormulaC11H15N5O2S
Molecular Weight281.34 g/mol
Exact Mass281.09
IUPAC Name[(3R,4R,5S)-5-(6-aminopurin-9-yl)-4-(hydroxymethyl)thiolan-3-yl]methanol
SMILESNc1ncnc2c1ncn2[C@H]1SC[C@@H](CO)[C@@H]1CO
InChIInChI=1S/C11H15N5O2S/c12-9-8-10(14-4-13-9)16(5-15-8)11-7(2-18)6(1-17)3-19-11/h4-7,11,17-18H,1-3H2,(H2,12,13,14)/t6-,7+,11+/m1/s1
InChIKeyPMHKBQKMPQSXRM-BUYFANAVSA-N
XLogP-0.13
TPSA110.08 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

[(1S,2S,3S)-3-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclobutyl]methanol
CID 10562568
[(1R,2S)-2-(6-aminopurin-9-yl)cyclobutyl]methanol
CID 15332075
[4-(6-aminopurin-9-yl)-2-bicyclo[3.1.0]hexanyl]methanol
CID 10105922
[(1R,2R,4S,5S)-4-(6-aminopurin-9-yl)-2-bicyclo[3.1.0]hexanyl]methanol
CID 101208456
(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)thiolan-3-ol
CID 22844868
5-(6-aminopurin-9-yl)-2-(hydroxymethyl)thiolan-3-ol
CID 23358719
2-[(1R,2S)-2-(6-aminopurin-9-yl)cyclopentyl]ethanol
CID 10681944
[3-(6-aminopurin-9-yl)-2-methylidenecyclobutyl]methanol
CID 20846249
(2S,3R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxan-3-ol
CID 10611714
(2R,3R,4R)-4-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 11425245
[(5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methanol
CID 135258304
(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxane-3,4-diol
CID 10660443

Frequently Asked Questions

What is the IUPAC name of [(3R,4R,5S)-5-(6-aminopurin-9-yl)-4-(hydroxymethyl)thiolan-3-yl]methanol?
The IUPAC name of [(3R,4R,5S)-5-(6-aminopurin-9-yl)-4-(hydroxymethyl)thiolan-3-yl]methanol (CID 102087244) is [(3R,4R,5S)-5-(6-aminopurin-9-yl)-4-(hydroxymethyl)thiolan-3-yl]methanol.
What is the SMILES notation for [(3R,4R,5S)-5-(6-aminopurin-9-yl)-4-(hydroxymethyl)thiolan-3-yl]methanol?
The canonical SMILES for [(3R,4R,5S)-5-(6-aminopurin-9-yl)-4-(hydroxymethyl)thiolan-3-yl]methanol is Nc1ncnc2c1ncn2[C@H]1SC[C@@H](CO)[C@@H]1CO.
What is the InChIKey of [(3R,4R,5S)-5-(6-aminopurin-9-yl)-4-(hydroxymethyl)thiolan-3-yl]methanol?
The InChIKey is PMHKBQKMPQSXRM-BUYFANAVSA-N. The full InChI is InChI=1S/C11H15N5O2S/c12-9-8-10(14-4-13-9)16(5-15-8)11-7(2-18)6(1-17)3-19-11/h4-7,11,17-18H,1-3H2,(H2,12,13,14)/t6-,7+,11+/m1/s1.
What are the key properties of [(3R,4R,5S)-5-(6-aminopurin-9-yl)-4-(hydroxymethyl)thiolan-3-yl]methanol?
[(3R,4R,5S)-5-(6-aminopurin-9-yl)-4-(hydroxymethyl)thiolan-3-yl]methanol has a molecular weight of 281.34 g/mol, XLogP of -0.13, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R,5S)-5-(6-aminopurin-9-yl)-4-(hydroxymethyl)thiolan-3-yl]methanol is sourced from PubChem (CID 102087244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).