Basic information
- CAS
79008-78-9- Standard SMILES
CC[C@@]1(O)C[C@H](O)c2c(cc3c(c2O)C(=O)c2c(O)cc(O)cc2C3=O)[C@H]1C(=O)OC- InChIKey
MGVHSHMUGGHITN-YOKWENHESA-N- Molecular formula
- C22H20O9
- Average molar mass
- 428.4 g/mol
- Monoisotopic mass
- 428.11073221
Overview
anthracycline antibiotic from mutant strains of Streptomyces galilaeus; structure given in first source
Names & identifiers
- Preferred name
- 2-Hydroxyaklavinone
- IUPAC
- methyl (1R,2R,4S)-2-ethyl-2,4,5,7,9-pentahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
- English name
- 2-hydroxyaklavinone
- Molecular formula
- C22H20O9
- Molecular weight
- 428.3888
Names & synonyms
2-Hydroxyaklavinone79008-78-9DTXSID002294961-Naphthacenecarboxylic acid, 2-ethyl-1,2,3,4,6,11-hexahydro-2,4,5,7,9-pentahydroxy-6,11-dioxo-, methyl ester, (1R-(1alpha,2beta,4beta))-RefChem:87491DTXCID20151987methyl(1r,2r,4s)-2-ethyl-2,4,5,7,9-pentahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylatemethyl (1R,2R,4S)-2-ethyl-2,4,5,7,9-pentahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylateMFCD00076691METHYL (1R,2R,4S)-2-ETHYL-2,4,5,7,9-PENTAHYDROXY-6,11-DIOXO-1,2,3,4,6,11-HEXAHYDROTETRACENE-1-CARBOXYLATE
Database identifiers
- CAS
79008-78-9- PubChem CID
- 133151
- DTXSID
DTXSID00229496
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 162 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 768
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…