1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-[dodecoxy(hydroxy)phosphoryl]oxyethyl-trimethylazanium

2.1.2 InChI

InChI=1S/C17H38NO4P/c1-5-6-7-8-9-10-11-12-13-14-16-21-23(19,20)22-17-15-18(2,3)4/h5-17H2,1-4H3/p+1

2.1.3 InChI Key

QBHFVMDLPTZDOI-UHFFFAOYSA-O

2.1.4 Canonical SMILES

CCCCCCCCCCCCOP(=O)(O)OCC[N+](C)(C)C

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 29557-51-5

2. Dpv

3. Schembl60426

4. O-(dodecyloxyphosphonyl)choline

5. Zinc43562168

6. 744981-74-6

2.3 Create Date

2005-06-01

3 Chemical and Physical Properties

Molecular Formula	C₁₇H₃₉NO₄P+
Molecular Weight	352.5 g/mol
XLogP3	4.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	16
Exact Mass	352.26167072 g/mol
Monoisotopic Mass	352.26167072 g/mol
Topological Polar Surface Area	55.8 Å²
Heavy Atom Count	23
Formal Charge	1
Complexity	318
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

Dodecylphosphocholine