(10R)-2,10,23-trimethyltetracosane

• ChemBase ID: 1681
• Molecular Formular: C27H56
• Molecular Mass: 380.73354
• Monoisotopic Mass: 380.43820179
• SMILES: CC(C)CCCCCCCCCCCC[C@@H](C)CCCCCCCC(C)C
• Canonical SMILES: C[C@@H](CCCCCCCC(C)C)CCCCCCCCCCCCC(C)C
• InChI: InChI=1S/C27H56/c1-25(2)21-17-13-10-8-6-7-9-11-15-19-23-27(5)24-20-16-12-14-18-22-26(3)4/h25-27H,6-24H2,1-5H3/t27-/m1/s1
• InChIKey: ZADHKSJXSZBQFB-HHHXNRCGSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (10R)-2,10,23-trimethyltetracosane
• IUPAC Traditional name: @lipid fragment
• Synonyms: Lipid Fragment

Database IDs

• PubChem SID: 160965138; 46508528
• PubChem CID: 17754177

CALCULATED PROPERTIES

JChem

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 11.9944315
• LogD (pH = 7.4): 11.9944315
• Log P: 11.9944315
• Molar Refractivity: 125.872 cm^3
• Polarizability: 50.615788 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 21
• Lipinski's Rule of Five: false

ALOGPS 2.1

• Log P: 10.57
• LOG S: -8.02
• Solubility (Water): 3.67e-06 g/l

DETAILS

DrugBank - DB01913

Drug information: experimental