AG00I87C

4235-95-4 | (R)-2,3-Bis(Oleoyloxy)Propyl (2-(Trimethylammonio)Ethyl) Phosphate

AG00I87C

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CAS Number	4235-95-4
Catalog Number	AG00I87C(AGN-PC-0WBOKX)
Chemical Name	(R)-2,3-Bis(Oleoyloxy)Propyl (2-(Trimethylammonio)Ethyl) Phosphate
EC Number	224-193-8
IUPAC Name	[(2R)-2,3-bis[[(Z)-octadec-9-enoyl]oxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate
InChI	InChI=1S/C44H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20-23,42H,6-19,24-41H2,1-5H3/b22-20-,23-21-/t42-/m1/s1
InChI Key	SNKAWJBJQDLSFF-NVKMUCNASA-N
MDL Number	MFCD00135191
Molecular Formula	C44H84NO8P
Molecular Weight	786.1134
SMILES	[C@H](OC(=O)CCCCCCC/C=CCCCCCCCC)(COP(=O)(OCC[N+](C)(C)C)[O-])COC(=O)CCCCCCC/C=CCCCCCCCC
UNII	H026DM5V6U
Synonyms	1,2-dioleoyl glycerophosphocholine, 1,2-dioleoyl-sn-glycero-3-phosphocholine, 1,2-dioleoyl-sn-glycerol-3-ethylphosphocholine, 1,2-dioleoylglycerophosphocholine, 1,2-DOCPC, 1,2-oleoyl-sn-glycero-3-phosphocholine, 1,2-oleoylphosphatidylcholine, 1,2-oleoylphosphatidylcholine, (E,E)-isomer, 1,2-oleoylphosphatidylcholine, (L-alpha)-(R-(Z,Z))-isomer, 1,2-oleoylphosphatidylcholine, (R-(E,E))-isomer, 1,2-oleoylphosphatidylcholine, (Z,Z)-(+-)-isomer, 1,2-oleoylphosphatidylcholine, 14C-labeled, (R-(Z,Z))-isomer, dielaidinoyl lecithin, dielaidoylphosphatidylcholine, dioleoyl lecithin, dioleoyl phosphatidylcholine, dioleoylphosphatidylcholine, dioleoylphosphatidylcholine, DL-, dioleylphosphatidylcholine, DOPC, 1,2-Dioleoyl-sn-Glycero-3-Phosphocholine, DOPC, Dioleoyl lecithin, UNII-H026DM5V6U, 4235-95-4, 1,2-Dioleoyl-L-alpha-lecithin, Dioleoyl phosphatidylcholine, PC(18:1(9Z)/18:1(9Z)), 1,2-di-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine, H026DM5V6U, (R-(Z,Z))-(7-Oleoyl-4-oxido-10-oxo-3,5,9-trioxa-4-phosphaheptacos-18-enyl)trimethylammonium 4-oxide, 1-C18:1(omega-9)-2-C18:1(omega-9)-phosphatidylcholine, 1-(9Z)-octadecenoyl-2-(9Z)-octadecenoyl-sn-glycero-3-phosphocholine, PC 18:1, PC 36:2, C44H84NO8P, (R)-2,3-Bis(oleoyloxy)propyl (2-(trimethylammonio)ethyl) phosphate, MFCD00135191, 3-sn-Phosphatidylcholine, 1,2-dioleoyl, EINECS 224-193-8, phosphatidylcholine 18:1, 1,2-Di(cis-9-octadecenoyl)-sn-glycero-3-phosphocholine, 1,2-Dioleoyl-L-a-lecithin, SCHEMBL24888, (R)-2,3-Bis(oleoyloxy)propyl [2-(Trimethylammonio)ethyl] Phosphate, CHEBI:74669, SNKAWJBJQDLSFF-NVKMUCNASA-N, 1116AH, L-alpha-Phosphatidylcholine, dioleoyl, L-beta,gamma-Dioleoyl-alpha-lecithin, LMGP01010890, 1-oleoyl-2-oleoyl-phosphatidylcholine, AKOS024418773, 1-18:1-2-18:1-phosphatidylcholine, 1,2-dioleoyl-sn-glycero-3-phosphocho-line, D4250, 18:1-18:1-PC, Choline phosphate, 3-ester with L-1,2-diolein, 1-18:1-2-18:1-sn--glycerol-3-phosphocholine, sn-glycerol-3-phosphocholine (1-18:1-2-18:1), W-202732, 1,2-(9Z-octadecenoyl)-sn--glycero-3-phosphocholine, UNII-1T6N4D9YV6 component SNKAWJBJQDLSFF-NVKMUCNASA-N, UNII-EDS2L3ODLV component SNKAWJBJQDLSFF-NVKMUCNASA-N, N,N,N-Trimethyl 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, Olein, 1,2-di-, L-, dihydrogen phosphate, monoester with choline hydroxide, (2R)-2,3-bis[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylazaniumyl)ethyl phosphate, 18:1 (Delta9-Cis) PC (DOPC), 1,2-dioleoyl-sn-glycero-3-phosphocholine, powder, Choline, hydroxide, dihydrogen phosphate, inner salt, ester with L-1,2-diolein, 3,5,9-Trioxa-4-phosphaheptacos-18-en-1-aminium, 4-hydroxy-N,N,N-trimethyl-10-oxo-7-[(1-oxo-9-octadecenyl)oxy]-, inner salt, 4-oxide, [R-(Z,Z)]-, Dierucoyl phosphatidylcholine, DIOLEOYL-PHOSPHATIDYLCHOLINE, C44-H84-N-O8-P, CID10350317, PC(18:1/18:1), PC(36:2), [R-(Z,Z)]-(7-oleoyl-4-oxido-10-oxo-3,5,9-trioxa-4-phosphaheptacos-18-enyl)trimethylammonium 4-oxide,

Complexity	972
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	2
Exact Mass	785.593g/mol
Formal Charge	0
Heavy Atom Count	54
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	786.129g/mol
Monoisotopic Mass	785.593g/mol
Rotatable Bond Count	42
Topological Polar Surface Area	111A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	13.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 1888

Certificate of Analysis

Lot Number