(1R,2S,3R,5R)-3-(6-aminopurin-9-yl)-5-(2-hydroxyethyl)cyclopentane-1,2-diol

C12H17N5O3 — CID 5271015

IUPAC(1R,2S,3R,5R)-3-(6-aminopurin-9-yl)-5-(2-hydroxyethyl)cyclopentane-1,2-diol
SMILESNc1ncnc2c1ncn2[C@@H]1C[C@H](CCO)[C@@H](O)[C@H]1O
InChIInChI=1S/C12H17N5O3/c13-11-8-12(15-4-14-11)17(5-16-8)7-3-6(1-2-18)9(19)10(7)20/h4-7,9-10,18-20H,1-3H2,(H2,13,14,15)/t6-,7+,9+,10-/m0/s1
InChIKeyCEIKVFVUUZTZPJ-WDQPUEAGSA-N
MW279.30 g/mol
LogP-0.93
Rot. Bonds3

About (1R,2S,3R,5R)-3-(6-aminopurin-9-yl)-5-(2-hydroxyethyl)cyclopentane-1,2-diol

(1R,2S,3R,5R)-3-(6-aminopurin-9-yl)-5-(2-hydroxyethyl)cyclopentane-1,2-diol (PubChem CID 5271015) has the molecular formula C12H17N5O3 and a molecular weight of 279.30 g/mol. Its IUPAC name is (1R,2S,3R,5R)-3-(6-aminopurin-9-yl)-5-(2-hydroxyethyl)cyclopentane-1,2-diol.

Molecular Properties

Compound Name(1R,2S,3R,5R)-3-(6-aminopurin-9-yl)-5-(2-hydroxyethyl)cyclopentane-1,2-diol
PubChem CID5271015
Molecular FormulaC12H17N5O3
Molecular Weight279.30 g/mol
Exact Mass279.13
IUPAC Name(1R,2S,3R,5R)-3-(6-aminopurin-9-yl)-5-(2-hydroxyethyl)cyclopentane-1,2-diol
SMILESNc1ncnc2c1ncn2[C@@H]1C[C@H](CCO)[C@@H](O)[C@H]1O
InChIInChI=1S/C12H17N5O3/c13-11-8-12(15-4-14-11)17(5-16-8)7-3-6(1-2-18)9(19)10(7)20/h4-7,9-10,18-20H,1-3H2,(H2,13,14,15)/t6-,7+,9+,10-/m0/s1
InChIKeyCEIKVFVUUZTZPJ-WDQPUEAGSA-N
XLogP-0.93
TPSA130.31 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 5-0.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R,5R)-3-(6-aminopurin-9-yl)-5-(2-hydroxyethyl)cyclopentane-1,2-diol?
The IUPAC name of (1R,2S,3R,5R)-3-(6-aminopurin-9-yl)-5-(2-hydroxyethyl)cyclopentane-1,2-diol (CID 5271015) is (1R,2S,3R,5R)-3-(6-aminopurin-9-yl)-5-(2-hydroxyethyl)cyclopentane-1,2-diol.
What is the SMILES notation for (1R,2S,3R,5R)-3-(6-aminopurin-9-yl)-5-(2-hydroxyethyl)cyclopentane-1,2-diol?
The canonical SMILES for (1R,2S,3R,5R)-3-(6-aminopurin-9-yl)-5-(2-hydroxyethyl)cyclopentane-1,2-diol is Nc1ncnc2c1ncn2[C@@H]1C[C@H](CCO)[C@@H](O)[C@H]1O.
What is the InChIKey of (1R,2S,3R,5R)-3-(6-aminopurin-9-yl)-5-(2-hydroxyethyl)cyclopentane-1,2-diol?
The InChIKey is CEIKVFVUUZTZPJ-WDQPUEAGSA-N. The full InChI is InChI=1S/C12H17N5O3/c13-11-8-12(15-4-14-11)17(5-16-8)7-3-6(1-2-18)9(19)10(7)20/h4-7,9-10,18-20H,1-3H2,(H2,13,14,15)/t6-,7+,9+,10-/m0/s1.
What are the key properties of (1R,2S,3R,5R)-3-(6-aminopurin-9-yl)-5-(2-hydroxyethyl)cyclopentane-1,2-diol?
(1R,2S,3R,5R)-3-(6-aminopurin-9-yl)-5-(2-hydroxyethyl)cyclopentane-1,2-diol has a molecular weight of 279.30 g/mol, XLogP of -0.93, 3 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R,5R)-3-(6-aminopurin-9-yl)-5-(2-hydroxyethyl)cyclopentane-1,2-diol is sourced from PubChem (CID 5271015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).