Keyword(s): Human Metabolites
Molecule Category Salt-form

Structure

InChI Key IWWUBWJZVZKCOG-NBXYOHPUSA-M
Smiles [Cl-].O(C=1C=C(C(C=CC(=CC[P+](C=2C=CC=CC2)(C=3C=CC=CC3)C=4C=CC=CC4)C)=C(C1C)C)C)C
InChI
InChI=1/C34H36OP.ClH/c1-26(21-22-33-27(2)25-34(35-5)29(4)28(33)3)23-24-36(30-15-9-6-10-16-30,31-17-11-7-12-18-31)32-19-13-8-14-20-32;/h6-23,25H,24H2,1-5H3;1H/q+1;/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C34H36OP
Molecular Weight 526.22
AlogP 4.58
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 8.0
Polar Surface Area 9.23
Heavy Atoms 37.0

Cross References

Resources Reference
CAS NUMBER 69365-97-5
NORMAN SUSDAT