Anhydromaggiemycin

HCID 124643

Notes Reactions

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Basic information

CAS: 91432-49-4
Standard SMILES: CCc1cc(O)c2c(O)c3c(c(O)c2c1C(=O)OC)C(=O)c1cccc(O)c1C3=O
InChIKey: UUAGKLUSYOOORZ-UHFFFAOYSA-N
Molecular formula: C22H16O8
Average molar mass: 408.4 g/mol
Monoisotopic mass: 408.08451746

Names & identifiers

Preferred name: Anhydromaggiemycin
IUPAC: methyl 2-ethyl-4,5,7,12-tetrahydroxy-6,11-dioxotetracene-1-carboxylate

Names & synonyms

Anhydromaggiemycin91432-49-4DTXSID60238564methyl 2-ethyl-4,5,7,12-tetrahydroxy-6,11-dioxotetracene-1-carboxylateRefChem:112785DTXCID101610551-Naphthacenecarboxylic acid, 2-ethyl-6,11-dihydro-4,5,7,12-tetrahydroxy-6,11-dioxo-, methyl estermethyl 2-ethyl-4,5,7,12-tetrahydroxy-6,11-dioxo-6,11-dihydrotetracene-1-carboxylateSCHEMBL4386947CHEBI:226840UUAGKLUSYOOORZ-UHFFFAOYSA-N

Database identifiers

CAS: 91432-49-4
PubChem CID: 124643
DTXSID: DTXSID60238564
ChEMBL: CHEMBL226282
ChEBI: CHEBI:226840

Properties

Computed structural properties

XLogP: 5
Topological polar surface area: 141 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 8
Rotatable bonds: 3
Heavy atoms: 30
Formal charge: 0
Complexity: 722

Related reactions

1 records

New reaction record

HRID 615849As productuspto-grants-1985_02

Compound notes

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