Basic information
- CAS
10523-56-5- Standard SMILES
COc1c2occc2c(CC(O)C(C)(C)O)c2ccc(=O)oc12- InChIKey
ATYUBHYTYSFHCA-UHFFFAOYSA-N- Molecular formula
- C17H18O6
- Average molar mass
- 318.32 g/mol
- Monoisotopic mass
- 318.11033829
Names & identifiers
- Preferred name
- 7H-Furo(3,2-g)(1)benzopyran-7-one, 4-(2,3-dihydroxy-3-methylbutyl)-9-methoxy-
- IUPAC
- 4-(2,3-dihydroxy-3-methylbutyl)-9-methoxyfuro[3,2-g]chromen-7-one
Names & synonyms
10523-56-5CHEMBL5030317H-Furo(3,2-g)(1)benzopyran-7-one, 4-(2,3-dihydroxy-3-methylbutyl)-9-methoxy-5-(3'-Methyl-2',3'-dihydroxybutyl)-8-methoxypsoralen7H-Furo[3,2-g][1]benzopyran-7-one, 4-(2,3-dihydroxy-3-methylbutyl)-9-methoxy-BDBM50480266NSC 217989NSC-2179897H-Furo[3, 4-(2,3-dihydroxy-3-methylbutyl)-9-methoxy-4-(2,3-dihydroxy-3-methyl-butyl)-9-methoxy-furo[3,2-g]chromen-7-one
Database identifiers
- CAS
10523-56-5- PubChem CID
- 4981
- ChEMBL
CHEMBL503031- Nikkaji
- J108.497F
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 89.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 487
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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