(8S-cis)-10-((3-((R)-3-Cyano-4-morpholinyl)-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-5,12-naphthacenedione
Basic information
- CAS
89196-07-6- Standard SMILES
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@@H](N2CCOC[C@@H]2C#N)[C@@H](O)[C@@H](C)O1- InChIKey
YIMDLWDNDGKDTJ-XQJNOZEQSA-N- Molecular formula
- C32H34N2O12
- Average molar mass
- 638.6 g/mol
- Monoisotopic mass
- 638.21117452
Names & identifiers
- Preferred name
- (8S-cis)-10-((3-((R)-3-Cyano-4-morpholinyl)-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-5,12-naphthacenedione
- IUPAC
- (3S)-4-[(2R,3R,4R,6R)-3-hydroxy-2-methyl-6-[[(1S,3R)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]morpholine-3-carbonitrile
Names & synonyms
(8S-cis)-10-((3-((R)-3-Cyano-4-morpholinyl)-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-5,12-naphthacenedione89196-07-6alpha-3'-Deamino-3'-(3-cyano-4-morpholinyl)adriamycin10-((3-((R)-3-Cyano-4-morpholinyl)-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-5,12-naphthacenedione (8S-cis)-5,12-Naphthacenedione, 10-((3-((R)-3-cyano-4-morpholinyl)-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, (8S-cis)-
Database identifiers
- CAS
89196-07-6- PubChem CID
- 3086293
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 216 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 6
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 1,240
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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