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Chemistry

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Also known as: .lecithin
Molecular Formula
C10H21NO8P+
Molecular Weight
314.25  g/mol
InChI Key
RBAWEGYJSDPEHX-UHFFFAOYSA-O

Phosphatidylcholines
1 2D Structure

Phosphatidylcholines

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-[2,3-diformyloxypropoxy(hydroxy)phosphoryl]oxyethyl-trimethylazanium
2.1.2 InChI
InChI=1S/C10H20NO8P/c1-11(2,3)4-5-18-20(14,15)19-7-10(17-9-13)6-16-8-12/h8-10H,4-7H2,1-3H3/p+1
2.1.3 InChI Key
RBAWEGYJSDPEHX-UHFFFAOYSA-O
2.1.4 Canonical SMILES
C[N+](C)(C)CCOP(=O)(O)OCC(COC=O)OC=O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. .lecithin

2.3 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 314.25 g/mol
Molecular Formula C10H21NO8P+
XLogP3-1.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count12
Exact Mass314.10047863 g/mol
Monoisotopic Mass314.10047863 g/mol
Topological Polar Surface Area108 Ų
Heavy Atom Count20
Formal Charge1
Complexity343
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

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