2-(2-amino-3-cyclopentylpropyl)-5-(6-aminopurin-9-yl)oxolane-3,4-diol

C17H26N6O3 — CID 123315590

IUPAC2-(2-amino-3-cyclopentylpropyl)-5-(6-aminopurin-9-yl)oxolane-3,4-diol
SMILESNc1ncnc2c1ncn2C1OC(CC(N)CC2CCCC2)C(O)C1O
InChIInChI=1S/C17H26N6O3/c18-10(5-9-3-1-2-4-9)6-11-13(24)14(25)17(26-11)23-8-22-12-15(19)20-7-21-16(12)23/h7-11,13-14,17,24-25H,1-6,18H2,(H2,19,20,21)
InChIKeyCXQUQMCSPKYDHP-UHFFFAOYSA-N
MW362.43 g/mol
LogP0.33
Rot. Bonds5

About 2-(2-amino-3-cyclopentylpropyl)-5-(6-aminopurin-9-yl)oxolane-3,4-diol

2-(2-amino-3-cyclopentylpropyl)-5-(6-aminopurin-9-yl)oxolane-3,4-diol (PubChem CID 123315590) has the molecular formula C17H26N6O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is 2-(2-amino-3-cyclopentylpropyl)-5-(6-aminopurin-9-yl)oxolane-3,4-diol.

Molecular Properties

Compound Name2-(2-amino-3-cyclopentylpropyl)-5-(6-aminopurin-9-yl)oxolane-3,4-diol
PubChem CID123315590
Molecular FormulaC17H26N6O3
Molecular Weight362.43 g/mol
Exact Mass362.21
IUPAC Name2-(2-amino-3-cyclopentylpropyl)-5-(6-aminopurin-9-yl)oxolane-3,4-diol
SMILESNc1ncnc2c1ncn2C1OC(CC(N)CC2CCCC2)C(O)C1O
InChIInChI=1S/C17H26N6O3/c18-10(5-9-3-1-2-4-9)6-11-13(24)14(25)17(26-11)23-8-22-12-15(19)20-7-21-16(12)23/h7-11,13-14,17,24-25H,1-6,18H2,(H2,19,20,21)
InChIKeyCXQUQMCSPKYDHP-UHFFFAOYSA-N
XLogP0.33
TPSA145.33 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 50.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Related Compounds

(2R,3S,5S)-2-(6-aminopurin-9-yl)-5-(sulfanylmethyl)oxolane-3,4-diol
CID 59737005
(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
2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;hydrochloride
CID 18755237
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;chromium
CID 87862906
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;phosphane
CID 158226828
(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-(bromomethyl)oxolane-3,4-diol
CID 15024543
(2R,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;hydrochloride
CID 68808455
(2R,4R,5R)-2-(6-aminopurin-9-yl)-5-(aziridin-1-ylmethyl)oxolane-3,4-diol
CID 59996248

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-3-cyclopentylpropyl)-5-(6-aminopurin-9-yl)oxolane-3,4-diol?
The IUPAC name of 2-(2-amino-3-cyclopentylpropyl)-5-(6-aminopurin-9-yl)oxolane-3,4-diol (CID 123315590) is 2-(2-amino-3-cyclopentylpropyl)-5-(6-aminopurin-9-yl)oxolane-3,4-diol.
What is the SMILES notation for 2-(2-amino-3-cyclopentylpropyl)-5-(6-aminopurin-9-yl)oxolane-3,4-diol?
The canonical SMILES for 2-(2-amino-3-cyclopentylpropyl)-5-(6-aminopurin-9-yl)oxolane-3,4-diol is Nc1ncnc2c1ncn2C1OC(CC(N)CC2CCCC2)C(O)C1O.
What is the InChIKey of 2-(2-amino-3-cyclopentylpropyl)-5-(6-aminopurin-9-yl)oxolane-3,4-diol?
The InChIKey is CXQUQMCSPKYDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O3/c18-10(5-9-3-1-2-4-9)6-11-13(24)14(25)17(26-11)23-8-22-12-15(19)20-7-21-16(12)23/h7-11,13-14,17,24-25H,1-6,18H2,(H2,19,20,21).
What are the key properties of 2-(2-amino-3-cyclopentylpropyl)-5-(6-aminopurin-9-yl)oxolane-3,4-diol?
2-(2-amino-3-cyclopentylpropyl)-5-(6-aminopurin-9-yl)oxolane-3,4-diol has a molecular weight of 362.43 g/mol, XLogP of 0.33, 5 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-3-cyclopentylpropyl)-5-(6-aminopurin-9-yl)oxolane-3,4-diol is sourced from PubChem (CID 123315590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).