(2R)-2-(6-aminopurin-9-yl)octan-1-ol

C13H21N5O — CID 11777551

IUPAC(2R)-2-(6-aminopurin-9-yl)octan-1-ol
SMILESCCCCCC[C@H](CO)n1cnc2c(N)ncnc21
InChIInChI=1S/C13H21N5O/c1-2-3-4-5-6-10(7-19)18-9-17-11-12(14)15-8-16-13(11)18/h8-10,19H,2-7H2,1H3,(H2,14,15,16)/t10-/m1/s1
InChIKeyYXBJLOKJVFLXCO-SNVBAGLBSA-N
MW263.34 g/mol
LogP1.91
Rot. Bonds7

About (2R)-2-(6-aminopurin-9-yl)octan-1-ol

(2R)-2-(6-aminopurin-9-yl)octan-1-ol (PubChem CID 11777551) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is (2R)-2-(6-aminopurin-9-yl)octan-1-ol.

Molecular Properties

Compound Name(2R)-2-(6-aminopurin-9-yl)octan-1-ol
PubChem CID11777551
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name(2R)-2-(6-aminopurin-9-yl)octan-1-ol
SMILESCCCCCC[C@H](CO)n1cnc2c(N)ncnc21
InChIInChI=1S/C13H21N5O/c1-2-3-4-5-6-10(7-19)18-9-17-11-12(14)15-8-16-13(11)18/h8-10,19H,2-7H2,1H3,(H2,14,15,16)/t10-/m1/s1
InChIKeyYXBJLOKJVFLXCO-SNVBAGLBSA-N
XLogP1.91
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 (2R)-2-(6-aminopurin-9-yl)octan-1-ol?
The IUPAC name of (2R)-2-(6-aminopurin-9-yl)octan-1-ol (CID 11777551) is (2R)-2-(6-aminopurin-9-yl)octan-1-ol.
What is the SMILES notation for (2R)-2-(6-aminopurin-9-yl)octan-1-ol?
The canonical SMILES for (2R)-2-(6-aminopurin-9-yl)octan-1-ol is CCCCCC[C@H](CO)n1cnc2c(N)ncnc21.
What is the InChIKey of (2R)-2-(6-aminopurin-9-yl)octan-1-ol?
The InChIKey is YXBJLOKJVFLXCO-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H21N5O/c1-2-3-4-5-6-10(7-19)18-9-17-11-12(14)15-8-16-13(11)18/h8-10,19H,2-7H2,1H3,(H2,14,15,16)/t10-/m1/s1.
What are the key properties of (2R)-2-(6-aminopurin-9-yl)octan-1-ol?
(2R)-2-(6-aminopurin-9-yl)octan-1-ol has a molecular weight of 263.34 g/mol, XLogP of 1.91, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(6-aminopurin-9-yl)octan-1-ol is sourced from PubChem (CID 11777551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).