Mycophenolic acid
Properties
- Molecular formula
- C17H20O6
- Molar mass
- 320.34 g/mol
- Exact mass
- 320.1260 Da
- Density
- 1.33 g/mL
- Melting point
- 141 °C
- logP
- 2.73Crippen estimate
- Polar surface area
- 93.1 Ų
- H-bond donors / acceptors
- 2 / 5
- Rotatable bonds
- 6
Identifiers
CAS number
24280-93-1SMILES
COc1c(C)c2c(c(O)c1C/C=C(C)CCC(=O)O)C(=O)OC2InChIKey
HPNSFSBZBAHARI-RUDMXATFSA-NInChI
InChI=1S/C17H20O6/c1-9(5-7-13(18)19)4-6-11-15(20)14-12(8-23-17(14)21)10(2)16(11)22-3/h4,20H,5-8H2,1-3H3,(H,18,19)/b9-4+Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
9 names
- 4-Hexenoic acid, 6-(1,3-dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-, (4E)-
- 4-Hexenoic acid, 6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-5-phthalanyl)-4-methyl-, (E)-
- 4-Hexenoic acid, 6-(1,3-dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-, (E)-
- (4E)-6-(1,3-Dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-4-hexenoic acid
- NSC 129185
- Lilly 68618
- MPA
- Melbex
- (E)-6-(4-Hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydroisobenzofuran-5-yl)-4-methylhex-4-enoic acid
Work with Mycophenolic acid
Similar compounds
Mycophenolate mofetil115007-34-668 % similar
Mycophenolate mofetil128794-94-568 % similar
Ubiquinol992-78-946 % similar
3-(3,4,5-Trimethoxyphenyl)propionic acid25173-72-230 % similar
4-Methoxy-γ-oxobenzenebutanoic acid3153-44-430 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds