Fosbretabulin
[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] dihydrogen phosphate
Molecular Identity
Fosbretabulin
[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] dihydrogen phosphate
PubChem CID: 5351387
2D Structure
Properties
C18H21O8P
Molecular Formula
396.30
Molecular Weight
g/mol
396.0974
Exact Mass
Da
2.4
XLogP
Drug-like (Lipinski: < 5)
104
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
8
H-Bond Acceptors
507
Complexity
SMILES
Canonical SMILES
SMILES: COC1=C(C=C(C=C1)C=CC2=CC(=C(C(=C2)OC)OC)OC)OP(=O)(O)OIsomeric SMILES
SMILES: COC1=C(C=C(C=C1)/C=C\C2=CC(=C(C(=C2)OC)OC)OC)OP(=O)(O)OSynonyms(20)
Fosbretabulin222030-63-9Combretastatin A-4 phosphatePhosbretabulincombretastatin A4 phosphatefosbretabulinafosbretabuline[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] dihydrogen phosphateI5590ES2QZPhenol, 2-methoxy-5-((1Z)-2-(3,4,5-trimethoxyphenyl)ethenyl)-, dihydrogen phosphateDTXSID4010288432-Methoxy-5-((1Z)-2-(3,4,5-trimethoxyphenyl)ethenyl)phenyl phosphate2-methoxy-5-((z)-2-(3,4,5-trimethoxyphenyl)vinyl)phenyl dihydrogen phosphatephenol, 2-methoxy-5-((1z)-2-(3,4,5-trimethoxyphenyl)ethenyl)-,1-(dihydrogen phosphate)phenol, 2-methoxy-5-((z)-2-(3,4,5-trimethoxyphenyl)ethenyl)-, dihydrogen phosphate
Data from PubChem (NCBI)
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