AG00ID72

816-94-4 | 3,5,9-Trioxa-4-phosphaheptacosan-1-aminium,4-hydroxy-N,N,N-trimethyl-10-oxo-7-[(1-oxooctadecyl)oxy]-, inner salt,4-oxide, (7R)-

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CAS Number	816-94-4
Catalog Number	AG00ID72(AGN-PC-0UKJQW)
Chemical Name	3,5,9-Trioxa-4-phosphaheptacosan-1-aminium,4-hydroxy-N,N,N-trimethyl-10-oxo-7-[(1-oxooctadecyl)oxy]-, inner salt,4-oxide, (7R)-
EC Number	212-440-2
IUPAC Name	[(2R)-2,3-di(octadecanoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate
InChI	InChI=1S/C44H88NO8P/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/h42H,6-41H2,1-5H3/t42-/m1/s1
InChI Key	NRJAVPSFFCBXDT-HUESYALOSA-N
MDL Number	MFCD00150478
Molecular Formula	C44H88NO8P
Molecular Weight	790.1452
NSC Number	725285
SMILES	O=P(OC[C@H](OC(CCCCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCCCC)=O)([O-])OCC[N+](C)(C)C
UNII	043IPI2M0K
Synonyms	1,2-distearoyl-sn-glycero-3-phosphocholine, 1,2-distearoyllecithin, 1,2-distearoyllecithin, (+-)-isomer, 1,2-distearoyllecithin, (R)-isomer, 1,2-distearoyllecithin, (S)-isomer, 1,2-distearoylphosphatidylcholine, 4-hydroxy-N,N,N-trimethyl-10-oxo-7-((1-oxooctadecyl)oxy)-3,5,9-trioxa-4-phosphahepta cosan-1-aminium hydroxide, inner salt, 4-oxide, distearoylglycerophosphocholine, distearoylphosphatidylcholine, distearoylphosphatidylcholine, DL-, 816-94-4, 1,2-Distearoyl-sn-glycero-3-phosphocholine, DSPC, (R)-2,3-Bis(stearoyloxy)propyl (2-(trimethylammonio)ethyl) phosphate, 1,2-dioctadecanoyl-sn-glycero-3-phosphocholine, PC(18:0/18:0), 1,2-Distearoyl-sn-3-phosphacholine, UNII-043IPI2M0K, Distearoyl phosphatidylcholine, 043IPI2M0K, NRJAVPSFFCBXDT-HUESYALOSA-N, Phosphatidylcholine(18:0/18:0), GPCho(18:0/18:0), MFCD00036905, 3-sn-Phosphatidylcholine, 1,2-distearoyl, (R)-2,3-Bis(stearoyloxy)propyl [2-(Trimethylammonio)ethyl] Phosphate, Hydro Soy PC, 97281-48-6, EINECS 212-440-2, L-beta,gamma,Disteroyl-alpha-lecithin, 1,2-Distearoyl-sn-glycerophosphocholine, AC1L3RP8, pre-Liposomes Formulation 5, SCHEMBL24563, Di-stearoyl-phosphatidylcholine, CHEBI:83718, CTK3E8464, 18:0 PC (DSPC), DTXSID20231218, L-|A,|A-Distearoyl-|A-lecithin, BCP11135, KS-00000Y7I, L-|A-Phosphatidylcholine, distearoyl, LMGP01010006, NSC725285, AKOS016012934, L-beta,gamma-Distearoyl-alpha-lecithin, AN-6833, GS-6169, L-alpha-Phosphatidylcholine, distearoyl, NSC-725285, (R)-(7-Lauroyl-4-oxido-10-oxo-3,5,9-trioxa-4-phosphaheptacosyl)trimethylammonium 4-oxide, L-alpha-Phosphatidyl choline, distearoyl, 4-Hydroxy-N,N,N-trimethyl-10-oxo-7-((1-oxooctadecyl)oxy)-3,5,9-trioxa-4-phosphaheptacosan-1-aminium hydroxide, inner salt, 4-oxide, (R)-, AK112040, GPC(18:0/18:0), D3926, FT-0627664, PC (18:0)2, 1,2-distearoyl-sn-glycero-3-phosphorylcholine, PC 18:0/18:0, L-alpha-Phosphatidylcholine, Hydrogenated (Soy), 1,2-Distearoyl-sn-glycero-3-phosphocholine, >=99%, 1,2-Distearoyl-sn-glycero-3-phosphocholine, >=99% (TLC), UNII-1T6N4D9YV6 component NRJAVPSFFCBXDT-HUESYALOSA-N, UNII-EAG959U971 component NRJAVPSFFCBXDT-HUESYALOSA-N, (2R)-2,3-bis(octadecanoyloxy)propyl 2-(trimethylammonio)ethyl phosphate, (2R)-2,3-bis(octadecanoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate, [(2R)-2,3-di(octadecanoyloxy)propyl] 2-(trimethylammonio)ethyl phosphate, [(2R)-2,3-di(octadecanoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate, 18:0 PC (DSPC), 1,2-distearoyl-sn-glycero-3-phosphocholine, powder, (2-{[(2R)-2,3-bis(octadecanoyloxy)propyl phosphono]oxy}ethyl)trimethylazanium, 2-[[(2R)-2,3-dioctadecanoyloxypropoxy]-oxido-phosphoryl]oxyethyl-trimethyl-azanium, 3,5,9-Trioxa-4-phosphaheptacosan-1-aminium, 4-hydroxy-N,N,N-trimethyl-10-oxo-7-((1-oxooctadecyl)oxy)-, hydroxide, inner salt, 4-oxide, (R)-, 82617-24-1, LECITHIN, 3-sn-Phosphatidylcholine, Phosphatidylcholine(36:0), GPCho(36:0), Hydrogenated soybean lecithin, PC aa C36:0, UNII-H1109Z9J4N, C44H88NO8P, PC(36:0), CID94190, C44-H88-N-O8-P, EINECS 306-549-5, L-alpha-Phosphatidylcholine,distearoyl, PC 36:0, 1,2-Diacyl-sn-glycero-3-phosphocholine, Phosphatidylcholines, soya, hydrogenated, 1,2-Distearoyl-rac-glycero-3-phosphocholine, Choline, hydroxide, dihydrogen phosphate, inner salt, ester with 1,2-distearin, L-, 3,5,9-Trioxa-4-phosphaheptacosan-1-aminium, 4-hydroxy-N,N,N-trimethyl-10-oxo-7-[(1-oxooctadecyl)oxy]-, hydroxide, inner salt, 4-oxide, (R)-,

Complexity	888
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	789.625g/mol
Formal Charge	0
Heavy Atom Count	54
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	790.161g/mol
Monoisotopic Mass	789.625g/mol
Rotatable Bond Count	44
Topological Polar Surface Area	111A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	15.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317-H319
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number