(3R)-3-(6-chloropurin-9-yl)undecan-1-ol

C16H25ClN4O — CID 164624241

IUPAC(3R)-3-(6-chloropurin-9-yl)undecan-1-ol
SMILESCCCCCCCC[C@H](CCO)n1cnc2c(Cl)ncnc21
InChIInChI=1S/C16H25ClN4O/c1-2-3-4-5-6-7-8-13(9-10-22)21-12-20-14-15(17)18-11-19-16(14)21/h11-13,22H,2-10H2,1H3/t13-/m1/s1
InChIKeyWQNODDOFZHPPHM-CYBMUJFWSA-N
MW324.86 g/mol
LogP4.15
Rot. Bonds10

About (3R)-3-(6-chloropurin-9-yl)undecan-1-ol

(3R)-3-(6-chloropurin-9-yl)undecan-1-ol (PubChem CID 164624241) has the molecular formula C16H25ClN4O and a molecular weight of 324.86 g/mol. Its IUPAC name is (3R)-3-(6-chloropurin-9-yl)undecan-1-ol.

Molecular Properties

Compound Name(3R)-3-(6-chloropurin-9-yl)undecan-1-ol
PubChem CID164624241
Molecular FormulaC16H25ClN4O
Molecular Weight324.86 g/mol
Exact Mass324.17
IUPAC Name(3R)-3-(6-chloropurin-9-yl)undecan-1-ol
SMILESCCCCCCCC[C@H](CCO)n1cnc2c(Cl)ncnc21
InChIInChI=1S/C16H25ClN4O/c1-2-3-4-5-6-7-8-13(9-10-22)21-12-20-14-15(17)18-11-19-16(14)21/h11-13,22H,2-10H2,1H3/t13-/m1/s1
InChIKeyWQNODDOFZHPPHM-CYBMUJFWSA-N
XLogP4.15
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.86
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(6-chloropurin-9-yl)undecan-1-ol?
The IUPAC name of (3R)-3-(6-chloropurin-9-yl)undecan-1-ol (CID 164624241) is (3R)-3-(6-chloropurin-9-yl)undecan-1-ol.
What is the SMILES notation for (3R)-3-(6-chloropurin-9-yl)undecan-1-ol?
The canonical SMILES for (3R)-3-(6-chloropurin-9-yl)undecan-1-ol is CCCCCCCC[C@H](CCO)n1cnc2c(Cl)ncnc21.
What is the InChIKey of (3R)-3-(6-chloropurin-9-yl)undecan-1-ol?
The InChIKey is WQNODDOFZHPPHM-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H25ClN4O/c1-2-3-4-5-6-7-8-13(9-10-22)21-12-20-14-15(17)18-11-19-16(14)21/h11-13,22H,2-10H2,1H3/t13-/m1/s1.
What are the key properties of (3R)-3-(6-chloropurin-9-yl)undecan-1-ol?
(3R)-3-(6-chloropurin-9-yl)undecan-1-ol has a molecular weight of 324.86 g/mol, XLogP of 4.15, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(6-chloropurin-9-yl)undecan-1-ol is sourced from PubChem (CID 164624241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).