Phenol,2-methoxy-5-[(1Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-, 1-(dihydrogenphosphate), sodium salt (1:2) (168555-66-6)

The Combretastatin A4 disodium phosphate is a small organic molecule with the formula C₁₈H₁₉Na₂O₈P. The systematic name of this chemical is disodium 2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl phosphate. With the CAS registry number 168555-66-6, it is also named as phenol, 2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-, dihydrogen phosphate, sodium salt (1:2). The product's categories are all inhibitors; inhibitors; combretastatin. It is white solid which is soluble in methanol. Combretastatin A4 disodium phosphate is a phosphorylated combretastatin which is found in the bark of the African bush willow tree Combretum caffrum. Combretastatin-A4 Prodrug induces mitotic catastrophe in chronic lymphocytic leukemia cell line independent of caspase activity.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 1.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.53; (4)ACD/LogD (pH 7.4): -2.34; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 8; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 8; (12)Flash Point: 323.8 °C; (13)Enthalpy of Vaporization: 95.5 kJ/mol; (14)Boiling Point: 611.8 °C at 760 mmHg; (15)Vapour Pressure: 7.99E-16 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1. SMILES: [Na+].[Na+].[O-]P([O-])(=O)Oc1c(OC)ccc(c1)\C=C/c2cc(OC)c(OC)c(OC)c2;
2. InChI: InChI=1/C18H21O8P.2Na/c1-22-14-8-7-12(9-15(14)26-27(19,20)21)5-6-13-10-16(23-2)18(25-4)17(11-13)24-3;;/h5-11H,1-4H3,(H2,19,20,21);;/q;2*+1/p-2/b6-5-;;.