Basic information
- Standard SMILES
COc1c(C)c2c(c(O)c1CC=C(C)COP(=O)(O)O)C(=O)OC2- InChIKey
INVMFCZDSNGFMH-UHFFFAOYSA-N- Molecular formula
- C15H19O8P
- Average molar mass
- 358.28 g/mol
Names & identifiers
- Preferred name
- Phosphoric acid mono-{4-[6-methoxy-7-methyl-3-oxo-4-hydroxy-1,3-dihydro-isobenzofuran-5-yl]-2-methyl-but-2-enyl} ester
- IUPAC
- [4-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-2-methylbut-2-enyl] dihydrogen phosphate
Names & synonyms
SCHEMBL1375041INVMFCZDSNGFMH-UHFFFAOYSA-NPhosphoric acid mono-{4-[6-methoxy-7-methyl-3-oxo-4-hydroxy-1,3-dihydro-isobenzofuran-5-yl]-2-methyl-but-2-enyl} esterPhosphoric acid mono-{4-[6-methoxy-7-methyl-3-oxo-4-hydroxy-1,3-dihydro-isobenzofuran-5-yl]-2-methyl-but-2-enyl}ester
Database identifiers
- PubChem CID
- 67010432
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 542
Related reactions
4 records
Linked notes
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