Basic information
- Standard SMILES
COC(=O)C(CC(C)=CCc1c(O)c2c(c(C)c1OC)COC2=O)P(=O)(O)O- InChIKey
YXZPKLBKSCFTCE-UHFFFAOYSA-N- Molecular formula
- C18H23O9P
- Average molar mass
- 414.3 g/mol
Names & identifiers
- Preferred name
- 6-(4-Hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-isobenzofuran-5-yl)-4-methyl-2-phosphono-hex-4-enoic Acid Methyl Ester
- IUPAC
- [6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-1-methoxy-4-methyl-1-oxohex-4-en-2-yl]phosphonic acid
Names & synonyms
SCHEMBL1374539YXZPKLBKSCFTCE-UHFFFAOYSA-N6-(4-Hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-isobenzofuran-5-yl)-4-methyl-2-phosphono-hex-4-enoic Acid Methyl Ester
Database identifiers
- PubChem CID
- 67010288
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 670
Related reactions
8 records
Compound notes
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