(6E,10E,14E,18E)-2,23-bis(hydroxymethyl)-6,10,15,19-tetramethyltetracosa-2,6,10,14,18,22-hexaene-1,24-diol

• ChemBase ID: 305306
• Molecular Formular: C30H50O4
• Molecular Mass: 474.7156
• Monoisotopic Mass: 474.37091008
• SMILES: C(C/C=C(/CC/C=C(/CCC=C(CO)CO)\C)\C)/C=C(/CC/C=C(/CCC=C(CO)CO)\C)\C
• Canonical SMILES: OCC(=CCC/C(=C/CC/C(=C/CC/C=C(/CC/C=C(/CCC=C(CO)CO)\C)\C)/C)/C)CO
• InChI: InChI=1S/C30H50O4/c1-25(13-7-15-27(3)17-9-19-29(21-31)22-32)11-5-6-12-26(2)14-8-16-28(4)18-10-20-30(23-33)24-34/h11-12,15-16,19-20,31-34H,5-10,13-14,17-18,21-24H2,1-4H3/b25-11+,26-12+,27-15+,28-16+
• InChIKey: YMMHDITUHQNNKU-DKTKHUEWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (6E,10E,14E,18E)-2,23-bis(hydroxymethyl)-6,10,15,19-tetramethyltetracosa-2,6,10,14,18,22-hexaene-1,24-diol
• IUPAC Traditional name: (6E,10E,14E,18E)-2,23-bis(hydroxymethyl)-6,10,15,19-tetramethyltetracosa-2,6,10,14,18,22-hexaene-1,24-diol
• Synonyms: Tetrahydroxysqualene

Database IDs

• CAS Number: 1043629-23-7

CALCULATED PROPERTIES

• Acid pKa: 14.495031
• H Acceptors: 4
• H Donor: 4
• LogD (pH = 5.5): 5.298927
• LogD (pH = 7.4): 5.298927
• Log P: 5.298927
• Molar Refractivity: 151.7166 cm^3
• Polarizability: 57.04782 Å^3
• Polar Surface Area: 80.92 Å^2
• Rotatable Bonds: 19
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: Powder