Epsilon-isorhodomycinone
Completing data — refresh the page later to see the latest
Basic information
- CAS
21204-32-0- Standard SMILES
CC[C@@]1(O)C[C@H](O)c2c(O)c3c(c(O)c2[C@H]1C(=O)OC)C(=O)c1c(O)ccc(O)c1C3=O- InChIKey
CIXXANXJCSBTFL-ACHUOPHGSA-N- Molecular formula
- C22H20O10
- Average molar mass
- 444.4 g/mol
- Monoisotopic mass
- 444.10564683
Overview
Methyl (1R,2R,4S)-2-ethyl-2,4,5,7,10,12-hexahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate is a quinone and a member of tetracenes.
Names & identifiers
- Preferred name
- Epsilon-isorhodomycinone
- IUPAC
- methyl (1R,2R,4S)-2-ethyl-2,4,5,7,10,12-hexahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
- English name
- epsilon-isorhodomycinone
- Molecular formula
- C22H20O10
- Molecular weight
- 444.39
Names & synonyms
Epsilon-isorhodomycinone1,11-Dihydroxyaklavinone21204-32-0methyl (1R,2R,4S)-2-ethyl-2,4,5,7,10,12-hexahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate1-Naphthacenecarboxylic acid, 2-ethyl-1,2,3,4,6,11-hexahydro-2,4,5,7,10,12-hexahydroxy-6,11-dioxo-, methyl ester, (1R-(1alpha,2beta,4beta))-RefChem:137418DTXSID00943544CHEBI:211076methyl (1R,2R,4S)-2-ethyl-2,4,5,7,10,12-hexahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylateMethyl 2-ethyl-2,4,5,7,10,12-hexahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate(1R)-2-Ethyl-1,2,3,4,6,11-hexahydro-2α,4α,5,7,10,12-hexahydroxy-6,11-dioxo-1-naphthacenecarboxylic acid methyl ester(1R)-2-Ethyl-2α,4α,5,7,10,12-hexahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydronaphthacene-1β-carboxylic acid methyl ester
Show more names
1-Naphthacenecarboxylic acid, 2-ethyl-1,2,3,4,6,11-hexahydro-2,4,5,7,10,12-hexahydroxy-6,11-dioxo-, methyl ester, (1R,2R,4S)-
Properties
Computed structural propertiesFilling in
- XLogP
- 2.3
- Topological polar surface area
- 182 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 3
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 800
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…