(2S,3R,4S,5S)-2-(6-amino-7H-purin-2-yl)-5-(hydroxymethyl)oxolane-3,4-diol

C10H13N5O4 — CID 54431924

IUPAC(2S,3R,4S,5S)-2-(6-amino-7H-purin-2-yl)-5-(hydroxymethyl)oxolane-3,4-diol
SMILESNc1nc([C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)nc2nc[nH]c12
InChIInChI=1S/C10H13N5O4/c11-8-4-9(13-2-12-4)15-10(14-8)7-6(18)5(17)3(1-16)19-7/h2-3,5-7,16-18H,1H2,(H3,11,12,13,14,15)/t3-,5+,6+,7+/m0/s1
InChIKeyWIBJXLDWHFLFBG-UISOVIGQSA-N
MW267.25 g/mol
LogP-1.91
Rot. Bonds2

About (2S,3R,4S,5S)-2-(6-amino-7H-purin-2-yl)-5-(hydroxymethyl)oxolane-3,4-diol

(2S,3R,4S,5S)-2-(6-amino-7H-purin-2-yl)-5-(hydroxymethyl)oxolane-3,4-diol (PubChem CID 54431924) has the molecular formula C10H13N5O4 and a molecular weight of 267.25 g/mol. Its IUPAC name is (2S,3R,4S,5S)-2-(6-amino-7H-purin-2-yl)-5-(hydroxymethyl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2S,3R,4S,5S)-2-(6-amino-7H-purin-2-yl)-5-(hydroxymethyl)oxolane-3,4-diol
PubChem CID54431924
Molecular FormulaC10H13N5O4
Molecular Weight267.25 g/mol
Exact Mass267.10
IUPAC Name(2S,3R,4S,5S)-2-(6-amino-7H-purin-2-yl)-5-(hydroxymethyl)oxolane-3,4-diol
SMILESNc1nc([C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)nc2nc[nH]c12
InChIInChI=1S/C10H13N5O4/c11-8-4-9(13-2-12-4)15-10(14-8)7-6(18)5(17)3(1-16)19-7/h2-3,5-7,16-18H,1H2,(H3,11,12,13,14,15)/t3-,5+,6+,7+/m0/s1
InChIKeyWIBJXLDWHFLFBG-UISOVIGQSA-N
XLogP-1.91
TPSA150.40 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 5-1.91
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze (2S,3R,4S,5S)-2-(6-amino-7H-purin-2-yl)-5-(hydroxymethyl)oxolane-3,4-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S,4S,5R)-2-(6-amino-7H-purin-2-yl)-5-(hydroxymethyl)oxolane-3,4-diol;phosphoric acid
CID 23624109
(2R,3R,4R)-5-(6-amino-7H-purin-2-yl)-3-fluoro-2-(hydroxymethyl)oxolane-3,4-diol
CID 54511649
[(2S)-5-(6-amino-7H-purin-2-yl)oxolan-2-yl]methanol
CID 67674547
(2R,3S,4S,5S)-2-(6-amino-7H-purin-2-yl)-5-(hydroxymethyl)thiolane-3,4-diol
CID 70152310
8-[(3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,7-dihydropurin-6-one
CID 173317986
(3R,4S,5R)-2-[(2-amino-7H-purin-6-yl)oxy]-5-(hydroxymethyl)oxolane-3,4-diol
CID 70268377
(2R,3S,4R,5S)-2-(hydroxymethyl)-5-(4-methyl-1H-imidazol-5-yl)oxolane-3,4-diol
CID 135522006
(2R,3R,4S,5S)-4-fluoro-2-(hydroxymethyl)-5-(7H-purin-2-yl)oxolan-3-ol
CID 141159197
(3R,4S,5R)-2-(4-amino-5-nitropyrimidin-2-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 154315682
(3S,4S,5R)-2-[(2-chloro-7H-purin-6-yl)oxy]-5-(hydroxymethyl)oxolane-3,4-diol
CID 54050575
7-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,5-dihydropyrrolo[3,2-d]pyrimidine-4-thione
CID 23253156
(2R,3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol;7H-purin-2-amine
CID 175258661

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5S)-2-(6-amino-7H-purin-2-yl)-5-(hydroxymethyl)oxolane-3,4-diol?
The IUPAC name of (2S,3R,4S,5S)-2-(6-amino-7H-purin-2-yl)-5-(hydroxymethyl)oxolane-3,4-diol (CID 54431924) is (2S,3R,4S,5S)-2-(6-amino-7H-purin-2-yl)-5-(hydroxymethyl)oxolane-3,4-diol.
What is the SMILES notation for (2S,3R,4S,5S)-2-(6-amino-7H-purin-2-yl)-5-(hydroxymethyl)oxolane-3,4-diol?
The canonical SMILES for (2S,3R,4S,5S)-2-(6-amino-7H-purin-2-yl)-5-(hydroxymethyl)oxolane-3,4-diol is Nc1nc([C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)nc2nc[nH]c12.
What is the InChIKey of (2S,3R,4S,5S)-2-(6-amino-7H-purin-2-yl)-5-(hydroxymethyl)oxolane-3,4-diol?
The InChIKey is WIBJXLDWHFLFBG-UISOVIGQSA-N. The full InChI is InChI=1S/C10H13N5O4/c11-8-4-9(13-2-12-4)15-10(14-8)7-6(18)5(17)3(1-16)19-7/h2-3,5-7,16-18H,1H2,(H3,11,12,13,14,15)/t3-,5+,6+,7+/m0/s1.
What are the key properties of (2S,3R,4S,5S)-2-(6-amino-7H-purin-2-yl)-5-(hydroxymethyl)oxolane-3,4-diol?
(2S,3R,4S,5S)-2-(6-amino-7H-purin-2-yl)-5-(hydroxymethyl)oxolane-3,4-diol has a molecular weight of 267.25 g/mol, XLogP of -1.91, 2 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5S)-2-(6-amino-7H-purin-2-yl)-5-(hydroxymethyl)oxolane-3,4-diol is sourced from PubChem (CID 54431924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).