1,2-Dipalmitoyl-sn-glycero-3-phosphocholine (DPPC) (Dipalmitoyl-D62; 50-60% on alpha carbons)

Catalog	DGS25582632
CAS	25582-63-2
Synonyms	1,2-Dipalmitoyl-d31-sn-glycero-3-PC
IUPAC Name	[(2R)-2,3-bis(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-hentriacontadeuteriohexadecanoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate
Molecular Weight	795.95
Molecular Formula	C40H18D62NO8P
InChI	InChI=1S/C40H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41(3,4)5)49-40(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h38H,6-37H2,1-5H3/t38-/m1/s1/i1D3,2D3,6D2,7D2,8D2,9D2,10D2,11D2,12D2,13D2,14D2,15D2,16D2,17D2,18D2,19D2,20D2,21D2,22D2,23D2,24D2,25D2,26D2,27D2,28D2,29D2,30D2,31D2,32D2,33D2
InChI Key	KILNVBDSWZSGLL-PWXLRKPBSA-N
Purity	98%
Appearance	White powder
Complexity	826
Exact Mass	795.95131376
Formal Charge	0
Heavy Atom Count	50
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([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])C([2H])([2H])C([2H])([2H])[2H]
Isotopic Enrichment	97 atom % D
Monoisotopic Mass	795.95131376
Rotatable Bond Count	40
Stability	Stable if stored under recommended conditions.
Topological Polar Surface Area	111 Ų
Unlabeled CAS	63-89-8
XLogP3-AA	13.5