(2R,3R,4S,5R)-2-(6-amino-6-methyl-8H-purin-9-yl)-5-methyloxolane-3,4-diol

C11H17N5O3 — CID 69052267

IUPAC(2R,3R,4S,5R)-2-(6-amino-6-methyl-8H-purin-9-yl)-5-methyloxolane-3,4-diol
SMILESC[C@H]1O[C@@H](N2CN=C3C2=NC=NC3(C)N)[C@H](O)[C@@H]1O
InChIInChI=1S/C11H17N5O3/c1-5-6(17)7(18)10(19-5)16-4-14-8-9(16)13-3-15-11(8,2)12/h3,5-7,10,17-18H,4,12H2,1-2H3/t5-,6-,7-,10-,11?/m1/s1
InChIKeyILZRFNZJAHZNBI-SPIULWCRSA-N
MW267.29 g/mol
LogP-1.72
Rot. Bonds1

About (2R,3R,4S,5R)-2-(6-amino-6-methyl-8H-purin-9-yl)-5-methyloxolane-3,4-diol

(2R,3R,4S,5R)-2-(6-amino-6-methyl-8H-purin-9-yl)-5-methyloxolane-3,4-diol (PubChem CID 69052267) has the molecular formula C11H17N5O3 and a molecular weight of 267.29 g/mol. Its IUPAC name is (2R,3R,4S,5R)-2-(6-amino-6-methyl-8H-purin-9-yl)-5-methyloxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4S,5R)-2-(6-amino-6-methyl-8H-purin-9-yl)-5-methyloxolane-3,4-diol
PubChem CID69052267
Molecular FormulaC11H17N5O3
Molecular Weight267.29 g/mol
Exact Mass267.13
IUPAC Name(2R,3R,4S,5R)-2-(6-amino-6-methyl-8H-purin-9-yl)-5-methyloxolane-3,4-diol
SMILESC[C@H]1O[C@@H](N2CN=C3C2=NC=NC3(C)N)[C@H](O)[C@@H]1O
InChIInChI=1S/C11H17N5O3/c1-5-6(17)7(18)10(19-5)16-4-14-8-9(16)13-3-15-11(8,2)12/h3,5-7,10,17-18H,4,12H2,1-2H3/t5-,6-,7-,10-,11?/m1/s1
InChIKeyILZRFNZJAHZNBI-SPIULWCRSA-N
XLogP-1.72
TPSA116.03 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 5-1.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R)-2-(6-amino-6-methyl-8H-purin-9-yl)-5-methyloxolane-3,4-diol?
The IUPAC name of (2R,3R,4S,5R)-2-(6-amino-6-methyl-8H-purin-9-yl)-5-methyloxolane-3,4-diol (CID 69052267) is (2R,3R,4S,5R)-2-(6-amino-6-methyl-8H-purin-9-yl)-5-methyloxolane-3,4-diol.
What is the SMILES notation for (2R,3R,4S,5R)-2-(6-amino-6-methyl-8H-purin-9-yl)-5-methyloxolane-3,4-diol?
The canonical SMILES for (2R,3R,4S,5R)-2-(6-amino-6-methyl-8H-purin-9-yl)-5-methyloxolane-3,4-diol is C[C@H]1O[C@@H](N2CN=C3C2=NC=NC3(C)N)[C@H](O)[C@@H]1O.
What is the InChIKey of (2R,3R,4S,5R)-2-(6-amino-6-methyl-8H-purin-9-yl)-5-methyloxolane-3,4-diol?
The InChIKey is ILZRFNZJAHZNBI-SPIULWCRSA-N. The full InChI is InChI=1S/C11H17N5O3/c1-5-6(17)7(18)10(19-5)16-4-14-8-9(16)13-3-15-11(8,2)12/h3,5-7,10,17-18H,4,12H2,1-2H3/t5-,6-,7-,10-,11?/m1/s1.
What are the key properties of (2R,3R,4S,5R)-2-(6-amino-6-methyl-8H-purin-9-yl)-5-methyloxolane-3,4-diol?
(2R,3R,4S,5R)-2-(6-amino-6-methyl-8H-purin-9-yl)-5-methyloxolane-3,4-diol has a molecular weight of 267.29 g/mol, XLogP of -1.72, 1 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R)-2-(6-amino-6-methyl-8H-purin-9-yl)-5-methyloxolane-3,4-diol is sourced from PubChem (CID 69052267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).