AG00IMFR

4004-05-1 | 9-Octadecenoic acid (9Z)-,(1R)-1-[[[(2-aminoethoxy)hydroxyphosphinyl]oxy]methyl]-1,2-ethanediylester

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CAS Number	4004-05-1
Catalog Number	AG00IMFR(AGN-PC-0RLI36)
Chemical Name	9-Octadecenoic acid (9Z)-,(1R)-1-[[[(2-aminoethoxy)hydroxyphosphinyl]oxy]methyl]-1,2-ethanediylester
IUPAC Name	[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(Z)-octadec-9-enoyl]oxypropyl] (Z)-octadec-9-enoate
InChI	InChI=1S/C41H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,39H,3-16,21-38,42H2,1-2H3,(H,45,46)/b19-17-,20-18-/t39-/m1/s1
InChI Key	MWRBNPKJOOWZPW-NYVOMTAGSA-N
MDL Number	MFCD16621009
Molecular Formula	C41H78NO8P
Molecular Weight	744.0337
SMILES	O=P(OC[C@H](OC(CCCCCCC/C=CCCCCCCCC)=O)COC(CCCCCCC/C=C/CCCCCCCC)=O)(OCCN)O
UNII	JNP6V6AI0U
Synonyms	1,2-dielaidoylphosphatidylethanolamine, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 1,2-dioleoylglycero-3-phosphoethanolamine, 1,2-dioleoylphosphatidylethanolamine, 1,2-DOPE, 1-2-di-(9-octadecenoyl)-sn-glycero-3-phosphoethethanolamine, 1-2-DOPE, dioleoyl cephalin, Lipofectin, PE(18:1(9Z)/18:1(9Z)), UNII-JNP6V6AI0U, JNP6V6AI0U, 1,2-Dioleoyl-sn-glycero-3-phosphoethanolamine, GPEtn(18:1/18:1), GPEtn(18:1n9/18:1n9), GPEtn(18:1w9/18:1w9), DOPE, 1,2-di-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine, Phophatidylethanolamine(18:1n9/18:1n9), Phophatidylethanolamine(18:1w9/18:1w9), 4004-05-1, PE(18:1/18:1), MWRBNPKJOOWZPW-NYVOMTAGSA-N, 1,2-Dioleoyl-sn-gl, DOPE, l-, DOPE, R-, SCHEMBL25038, (2R)-3-(((2-aminoethoxy)(hydroxy)phosphoryl)oxy)propane-1,2-diyl dioleate, CHEBI:84839, (Z)-(2R)-3-(((2-Aminoethoxy)(hydroxy)phosphoryl)oxy)propane-1,2-diyl dioleate, LMGP02010052, ZINC85581568, AKOS024418762, D4251, 1,2-dioleoyl-rac-glycero-3-phosphoethanolamine, Olein, 1,2-di-, 2-aminoethyl hydrogen phosphate, L-, 1,2-di-[(9Z)-octadecenoyl]-sn-glycero-3-phosphoethanolamine, 2-Aminoethyl (R)-2,3-Bis(oleoyloxy)propyl Hydrogen Phosphate, UNII-A52610600U component MWRBNPKJOOWZPW-NYVOMTAGSA-N, Ethanol, 2-amino-, dihydrogen phosphate (ester), monoester with 1,2-diolein, L-, (2R)-3-{[(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(9Z)-octadec-9-enoyloxy]propyl (9Z)-octadec-9-enoate, 9-Octadecenoic acid (Z)-, 1-[[[(2-aminoethoxy)hydroxyphosphinyl]oxy]methyl]-1,2-ethanediyl ester, (R)-, GPEtn(36:2), Phophatidylethanolamine(36:2), Dioleoyl phosphatidylethanolamine, PE(36:2), Phophatidylethanolamine(18:1/18:1), CID9546757, PE(18:1n9/18:1n9), PE(18:1w9/18:1w9), 1,2-Dioleoyl-sn-glycero-3-phosphoethanolamine, 98% - 250MG 250mg, PE,

Complexity	897
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	2
Exact Mass	743.547g/mol
Formal Charge	0
Heavy Atom Count	51
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	744.048g/mol
Monoisotopic Mass	743.547g/mol
Rotatable Bond Count	41
Topological Polar Surface Area	134A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	10.6

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number