1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-2-formyloxypropyl] formate

2.1.2 InChI

InChI=1S/C8H15O10P/c9-1-7(12)2-17-19(13,14)18-4-8(16-6-11)3-15-5-10/h5-9,12H,1-4H2,(H,13,14)

2.1.3 InChI Key

UCCRSWXULRWPDX-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C(C(COP(=O)(O)OCC(COC=O)OC=O)O)O

2.1.5 Isomeric SMILES

C(C(COP(=O)(O)OCC(COC=O)OC=O)O)O

2.2 Create Date

2010-11-03

3 Chemical and Physical Properties

Molecular Formula	C₈H₁₅O₁₀P
Molecular Weight	302.17 g/mol
XLogP3	-2.4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	12
Exact Mass	302.04028367 g/mol
Monoisotopic Mass	302.04028367 g/mol
Topological Polar Surface Area	149 A^2
Heavy Atom Count	19
Formal Charge	0
Complexity	308
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

Phosphatidylglycerols