Basic information
- Standard SMILES
COc1cc(C(O)P(=O)(OC)OC)cc(OC)c1OC- InChIKey
QLVDOJZFRXIUJX-UHFFFAOYSA-N- Molecular formula
- C12H19O7P
- Average molar mass
- 306.25 g/mol
- Monoisotopic mass
- 306.08683994
Names & identifiers
- Preferred name
- (Hydroxy-(3,4,5-trimethoxy-phenyl)-methyl]-phosphonic acid dimethyl ester
- IUPAC
- dimethoxyphosphoryl-(3,4,5-trimethoxyphenyl)methanol
Names & synonyms
(Hydroxy-(3,4,5-trimethoxy-phenyl)-methyl]-phosphonic acid dimethyl ester[Hydroxy-(3,4,5-trimethoxy-phenyl)-methyl]-phosphonic acid dimethyl esterSCHEMBL1168375QLVDOJZFRXIUJX-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 14101687
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 83.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 316
Related reactions
5 records
Linked notes
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