Tetracenomycin D3 methylester
Basic information
- CAS
104513-07-7- Standard SMILES
COC(=O)c1c(O)cc2cc3c(c(O)c2c1C)C(=O)c1c(O)cc(O)cc1C3=O- InChIKey
RQYUIUSZANHVJK-UHFFFAOYSA-N- Molecular formula
- C21H14O8
- Average molar mass
- 394.3 g/mol
- Monoisotopic mass
- 394.0688674
Overview
Tetracenomycin D3 methyl ester is a methyl ester, a tetracenecarboxylate ester and a member of tetracenequinones. It is functionally related to a tetracenomycin D3.
Names & identifiers
- Preferred name
- Tetracenomycin D3 methylester
- IUPAC
- methyl 3,8,10,12-tetrahydroxy-1-methyl-6,11-dioxotetracene-2-carboxylate
- English name
- 6,11-Dihydro-3,8,10,12-tetrahydroxy-1-methyl-6,11-dioxo-2-naphthacenecarboxylic acid methyl ester
- Molecular weight
- 0
Names & synonyms
Tetracenomycin D3 methylestertetracenomycin D3 methyl ester104513-07-7methyl 3,8,10,12-tetrahydroxy-1-methyl-6,11-dioxo-6,11-dihydrotetracene-2-carboxylateCHEBI:32203DTXSID40332130RefChem:188429DTXCID90283224methyl 3,8,10,12-tetrahydroxy-1-methyl-6,11-dioxotetracene-2-carboxylate6,11-Dihydro-3,8,10,12-tetrahydroxy-1-methyl-6,11-dioxo-2-naphthacenecarboxylic acid methyl esterQ27114820
Database identifiers
- CAS
104513-07-7- PubChem CID
- 443787
- DTXSID
DTXSID40332130- ChEBI
CHEBI:32203- Nikkaji
- J248.137E
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 707
Chemistry & industry
Additional notes
DefinitionChEBI: Tetracenomycin D3 methyl ester is a tetracenecarboxylate ester, a member of tetracenequinones and a methyl ester. It is functionally related to a tetracenomycin D3.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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