In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP10010022
Common NamePA(10:0/10:0)
Systematic Name1-2-di-decanoyl-sn-glycero-3-phosphate
SynonymsPA(20:0); PA(10:0/10:0)
Exact Mass
480.2852 (neutral)    Calculate m/z:
FormulaC23H45O8P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphates [GP10]
Sub ClassDiacylglycerophosphates [GP1001]
PubChem Compound ID (CID)-
InChIKeyPHQFPHNJHDEXLJ-OAQYLSRUSA-N
InChIInChI=1S/C23H45O8P/c1-3-5-7-9-11-13-15-17-22(24)29-19-21(20-30-32(26,27)28)31-23
(25)18-16-14-12-10-8-6-4-2/h21H,3-20H2,1-2H3,(H2,26,27,28)/t21-/m1/s1
SMILES[C@](COP(=O)(O)O)([H])(OC(CCCCCCCCC)=O)COC(CCCCCCCCC)=O
MS SpectraView MoNA MS spectra      Predict MS/MS spectrum (Neg. mode)
StatusActive (generated by computational methods)
Calculated physicochemical properties (?):
 Heavy Atoms32Rings0Aromatic Rings0Rotatable Bonds24
 van der Waals
Molecular Volume
491.33Topological Polar
Surface Area
119.36Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
8
 logP7.03Molar
Refractivity
125.27