Fosbretabulin disodium
Properties
- Molecular formula
- C18H19Na2O8P
- Molar mass
- 440.30 g/mol
- Exact mass
- 440.0613 Da
- Melting point
- 238–242 °C (decomposes)
- logP
- 2.60Crippen estimate
- Polar surface area
- 103.7 Ų
- H-bond donors / acceptors
- 2 / 6
- Rotatable bonds
- 8
Identifiers
CAS number
168555-66-6SMILES
COc1ccc(C=Cc2cc(OC)c(OC)c(OC)c2)cc1OP([O-])([O-])=O.[Na+].[Na+]InChIKey
ACFUENHANVNJPF-XNOMRPDFSA-NInChI
InChI=1S/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);;/b6-5-;;Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
8 names
- Phenol, 2-methoxy-5-[(1Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-, 1-(dihydrogen phosphate), sodium salt (1:2)
- Phenol, 2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]-, dihydrogen phosphate, disodium salt, (Z)-
- Phenol, 2-methoxy-5-[(1Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-, dihydrogen phosphate, disodium salt
- Combretastatin A4 disodium phosphate
- Fosbretabulin disodium salt
- CA 4DP
- CA 4P
- SML1131
Work with Fosbretabulin disodium
Similar compounds
Combretastatin A-4117048-59-652 % similar
Methylisoeugenol93-16-343 % similar
(E)-3,4,5-Trimethoxycinnamic acid20329-98-040 % similar
3,4,5-Trimethoxycinnamic acid90-50-640 % similar
Sodium ferulate24276-84-439 % similar
3,4-Dimethoxycinnamic acid14737-89-439 % similar
3′,4′-Dimethoxycinnamic acid2316-26-939 % similar
1-Naphthyl disodium orthophosphate2183-17-739 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds