Basic information
- CAS
79974-25-7- Standard SMILES
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1N- InChIKey
AKITVVZQYZPSTG-WEBYNNHHSA-N- Molecular formula
- C27H29NO13
- Average molar mass
- 575.5 g/mol
- Monoisotopic mass
- 575.16388998
Names & identifiers
- Preferred name
- 10-((2-Amino-2-deoxy-beta-D-glucopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-5,12-naphthacenedione
- IUPAC
- 7-[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
Names & synonyms
79974-25-710-((2-Amino-2-deoxy-beta-D-glucopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-5,12-naphthacenedione7-O-(beta-D-Glucosaminyl)adriamycinoneDTXSID3010008705,12-Naphthacenedione, 10-((2-amino-2-deoxy-beta-D-glucopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-3,5,12-Trihydroxy-3-(hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2-amino-2-deoxy-beta-D-glucopyranoside3,5,12-Trihydroxy-3-(hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2-amino-2-deoxyhexopyranoside
Database identifiers
- CAS
79974-25-7- PubChem CID
- 149796
- DTXSID
DTXSID301000870
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 247 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 6
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 1,030
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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