1,2-Dimyristoyl-sn-glycero-3-phosphocholine (DMPC) (Dimyristoyl-D54; 50-60% on alpha carbons)

Catalog	DGS78415493
CAS	78415-49-3
Synonyms	1,2-Dimyristoyl-D54-Sn-glycero-3-phosphocholine
IUPAC Name	[(2R)-2,3-bis(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptacosadeuteriotetradecanoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate
Molecular Weight	731.83
Molecular Formula	C36H18D54NO8P
InChI	InChI=1S/C36H72NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-35(38)42-32-34(33-44-46(40,41)43-31-30-37(3,4)5)45-36(39)29-27-25-23-21-19-17-15-13-11-9-7-2/h34H,6-33H2,1-5H3/t34-/m1/s1/i1D3,2D3,6D2,7D2,8D2,9D2,10D2,11D2,12D2,13D2,14D2,15D2,16D2,17D2,18D2,19D2,20D2,21D2,22D2,23D2,24D2,25D2,26D2,27D2,28D2,29D2
InChI Key	CITHEXJVPOWHKC-RPLUSTTMSA-N
Purity	98%
Appearance	White powder
Complexity	765
Exact Mass	731.83849953
Formal Charge	0
Heavy Atom Count	46
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	0
Isomeric SMILES	[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H]
Isotopic Enrichment	97 atom % D
Monoisotopic Mass	731.83849953
Rotatable Bond Count	36
Stability	Stable if stored under recommended conditions.
Topological Polar Surface Area	111 Ų
Unlabeled CAS	18194-24-6
XLogP3-AA	11.3