3,4,6,7-Tetrahydroxyxanthone
Basic information
- CAS
141642-11-7- Standard SMILES
O=c1c2cc(O)c(O)cc2oc2c(O)c(O)ccc12- InChIKey
ZIUFQHOTGSSKBS-UHFFFAOYSA-N- Molecular formula
- C13H8O6
- Average molar mass
- 260.2 g/mol
- Monoisotopic mass
- 260.03208797
Overview
3,4,6,7-tetrahydroxyxanthone has been reported in Tripterospermum lanceolatum with data available.
Names & identifiers
- Preferred name
- 3,4,6,7-Tetrahydroxyxanthone
- IUPAC
- 2,3,5,6-tetrahydroxyxanthen-9-one
Names & synonyms
3,4,6,7-tetrahydroxyxanthone2,3,5,6-tetrahydroxyxanthen-9-oneRefChem:909543467-Tetrahydroxyxanthone141642-11-7CHEMBL4777402,3,5,6-TETRAHYDROXY-9H-XANTHEN-9-ONESCHEMBL7330918DTXSID50438632BDBM50292544
Database identifiers
- CAS
141642-11-7- PubChem CID
- 10355232
- DTXSID
DTXSID50438632- ChEMBL
CHEMBL477740- Nikkaji
- J524.896E
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 372
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Related reactions
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Compound notes
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