Basic information
- Standard SMILES
CCOP(=O)(CC=CCC(CC(C)=CCc1c(O)c2c(c(C)c1OC)COC2=O)C(=O)OC)OCC- InChIKey
XWHJJGUKYCAYKX-UHFFFAOYSA-N- Molecular formula
- C26H37O9P
- Average molar mass
- 524.5 g/mol
Names & identifiers
- Preferred name
- 2-[4-(Diethoxy-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 methyl ester
- IUPAC
- methyl 2-(4-diethoxyphosphorylbut-2-enyl)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoate
Names & synonyms
SCHEMBL1376960XWHJJGUKYCAYKX-UHFFFAOYSA-N2-[4-(diethoxy-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 methyl ester
Database identifiers
- PubChem CID
- 76546186
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 15
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 829
Related reactions
28 records
Compound notes
Loading…