Cholesterylphosphoryldimethylethanolamine
[CAS# 120087-00-5]

Identification

• Name: Cholesterylphosphoryldimethylethanolamine
• Synonyms: [2-Dimethylamino-1-[(10R,13R)-17-[(1R)-1,5-Dimethylhexyl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl]-1-Hydroxy-Ethyl]Phosphonic Acid; [2-Dimethylamino-1-[(10R,13R)-17-[(1R)-1,5-Dimethylhexyl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl]-1-Hydroxyethyl]Phosphonic Acid; [2-Dimethylamino-1-[(10R,13R)-10,13-Dimethyl-17-[(2R)-6-Methylheptan-2-Yl]-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl]-1-Hydroxy-Ethyl]Phosphonic Acid
• Molecular Formula: C₃₁H₅₆NO₄P
• Molecular Weight: 537.76
• CAS Registry Number: 120087-00-5
• SMILES: [C@]34(C2C(C1[C@@](C(CC1)[C@@H](CCCC(C)C)C)(CC2)C)CC=C3CC(C([P](=O)(O)O)(O)CN(C)C)CC4)C
• InChI: 1S/C31H56NO4P/c1-21(2)9-8-10-22(3)26-13-14-27-25-12-11-23-19-24(31(33,20-32(6)7)37(34,35)36)15-17-29(23,4)28(25)16-18-30(26,27)5/h11,21-22,24-28,33H,8-10,12-20H2,1-7H3,(H2,34,35,36)/t22-,24?,25?,26?,27?,28?,29+,30-,31?/m1/s1
• InChIKey: WJBFTCUMOCAKLX-DONHXRCRSA-N

Properties

• Density: 1.115g/cm³ (Cal.)
• Boiling point: 641.348°C at 760 mmHg (Cal.)
• Flash point: 341.675°C (Cal.)