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Chemistry

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Also known as:
Molecular Formula
C32H68NO10P
Molecular Weight
657.9  g/mol
InChI Key
IJIMPRZSGLAVSG-ZHXNKHNVSA-N

Dilauroylphosphatidylcholine
1 2D Structure

Dilauroylphosphatidylcholine

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
[(2R)-2,3-di(dodecanoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate;dihydrate
2.1.2 InChI
InChI=1S/C32H64NO8P.2H2O/c1-6-8-10-12-14-16-18-20-22-24-31(34)38-28-30(29-40-42(36,37)39-27-26-33(3,4)5)41-32(35)25-23-21-19-17-15-13-11-9-7-2;;/h30H,6-29H2,1-5H3;2*1H2/t30-;;/m1../s1
2.1.3 InChI Key
IJIMPRZSGLAVSG-ZHXNKHNVSA-N
2.1.4 Canonical SMILES
CCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC.O.O
2.1.5 Isomeric SMILES
CCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC.O.O
2.2 Create Date
2007-07-16
3 Chemical and Physical Properties
Molecular Weight 657.9 g/mol
Molecular Formula C32H68NO10P
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count32
Exact Mass657.45808436 g/mol
Monoisotopic Mass657.45808436 g/mol
Topological Polar Surface Area113 Ų
Heavy Atom Count44
Formal Charge0
Complexity705
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count3

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