65956-64-1
CHOLESTERYL PHOSPHORYL CHOLINE
NameCHOLESTERYL PHOSPHORYL CHOLINE
1Identification
【Name】
CHOLESTERYL PHOSPHORYL CHOLINE
【CAS】
【MDL】
MFCD00043216
【English Synonyms】
[(3S,8S,9S,10R,13R,14S,17R)-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] 2-(TRIMETHYLAZANIUMYL)ETHYL PHOSPHATE
【Formula】
C32 H58 N O4 P
【MolWeight】
551.787
【Inchi】
InChI=1S/C32H58NO4P/c1-23(2)10-9-11-24(3)28-14-15-29-27-13-12-25-22-26(37-38(34,35)36-21-20-33(6,7)8)16-18-31(25,4)30(27)17-19-32(28,29)5/h12,23-24,26-30H,9-11,13-22H2,1-8H3/t24-,26+,27+,28-,29+,30+,31+,32-/m1/s1
【InChIKey】
InChIKey=MWEZHNCHKXEIBJ-RWFZIKKDSA-N
【SMILES】
CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OP(=O)([O-])OCC[N+](C)(C)C)C)C
【MOL File】
CHOLESTERYL PHOSPHOR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:7.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
CHOLESTERYL PHOSPHORYL CHOLINE.cml