AG01CCJH

19420-57-6 | 3,5,9-Trioxa-4-phosphaheptacosan-1-aminium,4,7-dihydroxy-N,N,N-trimethyl-10-oxo-, inner salt, 4-oxide, (7R)-

AG01CCJH

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CAS Number	19420-57-6
Catalog Number	AG01CCJH(AGN-PC-0QMP5E)
Chemical Name	3,5,9-Trioxa-4-phosphaheptacosan-1-aminium,4,7-dihydroxy-N,N,N-trimethyl-10-oxo-, inner salt, 4-oxide, (7R)-
IUPAC Name	[(2R)-2-hydroxy-3-octadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
InChI	InChI=1S/C26H54NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h25,28H,5-24H2,1-4H3/t25-/m1/s1
InChI Key	IHNKQIMGVNPMTC-RUZDIDTESA-N
MDL Number	MFCD00050427
Molecular Formula	C26H54NO7P
Molecular Weight	523.6832
SMILES	O=P(OC[C@H](O)COC(CCCCCCCCCCCCCCCCC)=O)([O-])OCC[N+](C)(C)C
Synonyms	1-octadecyl-glycero-3-phosphocholine, 1-stearoyl-2-hydroxy-sn-glycero-3-phosphocholine, 1-stearoyl-sn-glycero-3-phosphorylcholine, stearoyl alpha-lysolecithin, stearoyl alpha-lysolecithin, (+-)-isomer, stearoyl alpha-lysolecithin, (R)-isomer, stearoyl L-alpha-lysolecithin, stearoyllysophosphatidylcholine, 1-octadecanoyl-sn-glycero-3-phosphocholine, 1-Stearoyl-sn-glycero-3-phosphocholine, 18:0 Lyso PC, CHEBI:73858, IHNKQIMGVNPMTC-RUZDIDTESA-N, 1-stearoyl-glycero-3-phosphocholine, LPC(18:0/0:0), PC(18:0/0:0), LPC 18:0, 19420-57-6, 1-Stearoylglycerophosphocholine, lysophosphatidylcholine (18:0), 1-stearoyl-lysophosphatidylcholine, S-LysoPC, 5655-17-4, LSPC, AC1LAXEH, 1-Stearoyl-sn-glycero-3-phosphorylcholine, lysoPC a C18:0, 1-Octadecanoyllysolecithin, 1-18:0-lysoPC, 1-stearoyl-2-hydroxy-sn-glycero-3-phosphocholine, LysoPC 18:0/0:0, 18:0 LYSO-PC, GTPL5651, CHEMBL3093101, LPC p-18:0, SCHEMBL19065066, GPCho 18:0/0:0, GPCho(18:0/0:0), 1-18:0-2-lysophosphatidylcholine, 1-Stearoyl-sn-3-phosphatidylcholine, LMGP01050026, lysophosphatidylcholine (18:0/0:0), 1-stearoylglycerophosphocholine(18:0), 1-stearoylglycerophosphocholine (18:0), ACM19420576, Lyso-1-stearoyl-sn-3-phosphatidylcholine, 1-O-Stearoyl-sn-glycero-3-phosphocholine, LPC 18:0/0:0, 1-Stearoyl-sn-glycerol-3-phosphorylcholine, PC 18:0/0:0, 1-Octadecanoyl-sn-glycerol-3-phosphorylcholine, 1-Stearoyl-2-lyso-sn-glycero-3-phosphocholine, 18:0 Lyso PC, 1-stearoyl-2-hydroxy-sn-glycero-3-phosphocholine, powder, [(2R)-2-hydroxy-3-octadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate, [(2R)-2-hydroxy-3-octadecanoyloxypropyl] 2-trimethylazaniumylethyl phosphate, 2-[hydroxy-[(2R)-2-hydroxy-3-octadecanoyloxy-propoxy]phosphoryl]oxyethyl-trimethyl-ammonium, 3,5,9-Trioxa-4-phosphaheptacosan-1-aminium,4,7-dihydroxy-N,N,N-trimethyl-10-oxo-, inner salt, 4-oxide, (7R)-, Stearin, 1-mono-, 3-(dihydrogen phosphate), monoester with choline hydroxide, inner salt, L-, Stearoyl lysolecithin, Stearoyl alpha-lysolecithin, D0B8SS, LysoPC(18:0), Stearoyl lyso-phosphocholine, stearoyl L-alpha-lysolecithin, Stearoyllysophosphatidylcholine, Lysophosphatidylcholine(18:0), LyPC(18:0), LysoPC(18:0/0:0), LPC(18:0), 1-octadecyl-glycero-3-phosphocholine, CID497299, LyPC(18:0/0:0), Lysophosphatidylcholine(18:0/0:0), stearoyl alpha-lysolecithin, (R)-isomer, stearoyl alpha-lysolecithin, (+-)-isomer, C026564,

Complexity	546
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	523.364g/mol
Formal Charge	0
Heavy Atom Count	35
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	523.692g/mol
Monoisotopic Mass	523.364g/mol
Rotatable Bond Count	26
Topological Polar Surface Area	105A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	6.6

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number