Compound Summary for: CID 71627309

Molecular Formula: C24H37O8P-2   Molecular Weight: 484.519542   InChIKey: WKXZERBYHFUAPX-PYLLGFJESA-L
Compound Information
CID 71627309
Create Date: 2013-08-05
Suppressed Compound
Properties and Descriptors
Properties
Molecular Weight 484.519542 [g/mol]
Molecular FormulaC24H37O8P-2
H-Bond Donor0
H-Bond Acceptor8
Rotatable Bond Count21
Exact Mass484.222605
MonoIsotopic Mass484.222605
Topological Polar Surface Area125
Heavy Atom Count33
Formal Charge-2
Complexity652
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count4
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Descriptors
IUPAC Name[(2S)-3-formyloxy-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxypropyl] phosphate
InChIInChI=1S/C24H39O8P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(26)32-23(20-30-22-25)21-31-33(27,28)29/h6-7,9-10,12-13,15-16,22-23H,2-5,8,11,14,17-21H2,1H3,(H2,27,28,29)/p-2/b7-6-,10-9-,13-12-,16-15-/t23-/m0/s1
InChIKeyWKXZERBYHFUAPX-PYLLGFJESA-L
Canonical SMILESCCCCCC=CCC=CCC=CCC=CCCCC(=O)OC(COC=O)COP(=O)([O-])[O-]
Isomeric SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@@H](COC=O)COP(=O)([O-])[O-]
Old Version Substance Information