AG004X7O

998-07-2 | (2R)-3-(((2-Aminoethoxy)(hydroxy)phosphoryl)oxy)propane-1,2-diyl ditetradecanoate

AG004X7O

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CAS Number	998-07-2
Catalog Number	AG004X7O(AGN-PC-0W9VT2)
Chemical Name	(2R)-3-(((2-Aminoethoxy)(hydroxy)phosphoryl)oxy)propane-1,2-diyl ditetradecanoate
IUPAC Name	[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-tetradecanoyloxypropyl] tetradecanoate
InChI	InChI=1S/C33H66NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-32(35)39-29-31(30-41-43(37,38)40-28-27-34)42-33(36)26-24-22-20-18-16-14-12-10-8-6-4-2/h31H,3-30,34H2,1-2H3,(H,37,38)/t31-/m1/s1
InChI Key	NEZDNQCXEZDCBI-WJOKGBTCSA-N
MDL Number	MFCD00036775
Molecular Formula	C33H66NO8P
Molecular Weight	635.8528
SMILES	CCCCCCCCCCCCCC(O[C@@H](COP(O)(OCCN)=O)COC(CCCCCCCCCCCCC)=O)=O
UNII	Z37OX1ASNK
Synonyms	1,2-dimyristoyl-sn-glycero-3-phosphoethanolamine, 1,2-dimyristoylphosphatidylethanolamine, 1,2-ditetradecanoyl-sn-glycero-3-phosphoethanolamine, dimyristoyl cephalin, DMPE, tetradecanoic acid, (1R)-1-((((2-aminoethoxy)hydroxyphosphinyl)oxy)methyl)-1,2-ethanediyl ester, 1,2-Dimyristoyl-sn-glycero-3-phosphoethanolamine, 998-07-2, 1,2-ditetradecanoyl-sn-glycero-3-phosphoethanolamine, UNII-Z37OX1ASNK, Z37OX1ASNK, PE(14:0/14:0), (2R)-3-(((2-Aminoethoxy)(hydroxy)phosphoryl)oxy)propane-1,2-diyl ditetradecanoate, DMPE;L-,-Dimyristoyl--cephalin, PE(28:0), (2r)-3-{[(S)-(2-Aminoethoxy)(Hydroxy)phosphoryl]oxy}-2-(Tetradecanoyloxy)propyl Tetradecanoate, Dimyristoyl cephalin, 1,2-dimyristoyl-rac-glycero-3-phosphoethanolamine, SCHEMBL42120, GPEtn(28:0), Phophatidylethanolamine(28:0), CTK8F2901, NEZDNQCXEZDCBI-WJOKGBTCSA-N, Dimyristoyl phosphatidylethanolamine, L-|A,|A-Dimyristoyl-|A-cephalin, GPEtn(14:0/14:0), LMGP02010352, MFCD00036775, ZINC32793028, Phophatidylethanolamine(14:0/14:0), KS-0000132P, Dimyristoyl-L-|A-phosphatidylethanolamine, Tetradecanoic acid, (1R)-1-((((2-aminoethoxy)hydroxyphosphinyl)oxy)methyl)-1,2-ethanediyl ester, DB-027521, D4249, FT-0772272, 3-sn-Phosphatidylethanolamine, 1,2-dimyristoyl, 998D072, 1,2-Dimyristoyl-sn-glycero-3-phosphoethanolamine, synthetic, >=99%, 2-Aminoethyl (R)-2,3-Bis(tetradecanoyloxy)propyl Hydrogen Phosphate, 46E, Tetradecanoic acid (1R)-1-[[[(2-aminoethoxy)hydroxyphosphinyl]oxy]methyl]-1,2-ethanediyl ester, DMPE, P5693_SIGMA, CID9852308, PE 28:0, 1,2-Dioleoyl-sn-glycero-3-phosphoethanolamine, PEE,

Complexity	694
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	635.453g/mol
Formal Charge	0
Heavy Atom Count	43
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	635.864g/mol
Monoisotopic Mass	635.453g/mol
Rotatable Bond Count	35
Topological Polar Surface Area	134A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	8.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number