474943-47-0
1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE-N-LACTOSYL AMMONIUM SALT
Name1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE-N-LACTOSYL AMMONIUM SALT
pro_formulaC53 H98 N O18 P . H3 N
1Identification
【Name】
1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE-N-LACTOSYL AMMONIUM SALT
【CAS】
【MDL】
MFCD22495324
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C53 H98 N O18 P . H3 N
【pro_molWeight】
1085.35
【Inchi】
InChI=1S/C53H98NO18P.H3N/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-44(57)66-39-41(69-45(58)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)40-68-73(64,65)67-36-35-54-52-49(62)48(61)51(43(38-56)70-52)72-53-50(63)47(60)46(59)42(37-55)71-53;/h17-20,41-43,46-56,59-63H,3-16,21-40H2,1-2H3,(H,64,65);1H3/b19-17-,20-18-;/t41-,42-,43-,46+,47+,48-,49-,50-,51-,52-,53+;/m1./s1
【InChIKey】
InChIKey=YNMSQQACPCMIQO-DXJAGVDXSA-N
【SMILES】
CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)OC(=O)CCCCCCC/C=C\CCCCCCCC.N
【MOL File】
1,2-DIOLEOYL-SN-GLYC….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:9
pro_acceptors:19
XLogP3:10.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE-N-LACTOSYL AMMONIUM SALT.cml