(7S)-5,7,9,10-tetrahydroxy-2-methoxy-7-methyl-6,8-dihydro-5H-anthracene-1,4-dione

HCID 5459130

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Basic information

CAS: 112926-20-2
Standard SMILES: COC1=CC(=O)c2c(O)c3c(c(O)c2C1=O)C[C@](C)(O)CC3O
InChIKey: WWTHHBSODPGTAK-VEDISBKWSA-N
Molecular formula: C16H16O7
Average molar mass: 320.29 g/mol
Monoisotopic mass: 320.08960285

Names & identifiers

Preferred name: (7S)-5,7,9,10-tetrahydroxy-2-methoxy-7-methyl-6,8-dihydro-5H-anthracene-1,4-dione
IUPAC: (7S)-5,7,9,10-tetrahydroxy-2-methoxy-7-methyl-6,8-dihydro-5H-anthracene-1,4-dione

Names & synonyms

NSC626307(7S)-5,7,9,10-tetrahydroxy-2-methoxy-7-methyl-6,8-dihydro-5H-anthracene-1,4-dioneNSC-626307NCI60_008303(7S)-5,7,9,10-Tetrahydroxy-2-methoxy-7-methyl-5,6,7,8-tetrahydroanthracene-1,4-dione

Database identifiers

CAS: 112926-20-2
PubChem CID: 5459130
DTXSID: DTXSID20420044

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 124 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 7
Rotatable bonds: 1
Heavy atoms: 23
Formal charge: 0
Complexity: 571

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