Basic information
- Standard SMILES
COc1c(C)c2c(c(O)c1CC=C(C)CC(CC=CCP(=O)(OC)OC)C(=O)O)C(=O)OC2- InChIKey
KZUYNPCHXKFKPP-UHFFFAOYSA-N- Molecular formula
- C23H31O9P
- Average molar mass
- 482.5 g/mol
Names & identifiers
- Preferred name
- 2-[4-(Dimethoxy-phosphoryl)-but-2-enyl]-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-isobenzofuran-5-yl)-4-methyl-hex-4-enoic Acid
- IUPAC
- 2-(4-dimethoxyphosphorylbut-2-enyl)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoic acid
Names & synonyms
SCHEMBL1374479KZUYNPCHXKFKPP-UHFFFAOYSA-N2-[4-(Dimethoxy-phosphoryl)-but-2-enyl]-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-isobenzofuran-5-yl)-4-methyl-hex-4-enoic Acid
Database identifiers
- PubChem CID
- 76546189
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 12
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 785
Related reactions
22 records
Compound notes
Loading…