(4S,4aR,5S,5aR,6S,12aS)-4-(Dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12-pentahydroxy-6-methyl-1,11-dioxo-12a-[[(phenylamino)carbonyl]oxy]-2-naphthacenecarboxamide
Basic information
- CAS
121355-89-3- Standard SMILES
CN(C)[C@@H]1C(=O)C(C(N)=O)=C(O)[C@@]2(OC(=O)Nc3ccccc3)C(=O)C3=C(O)c4c(O)cccc4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]12- InChIKey
HUGJAXZGLGDIIM-MMOBJAAJSA-N- Molecular formula
- C29H29N3O10
- Average molar mass
- 579.6 g/mol
- Monoisotopic mass
- 579.18529413
Names & identifiers
- Preferred name
- (4S,4aR,5S,5aR,6S,12aS)-4-(Dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12-pentahydroxy-6-methyl-1,11-dioxo-12a-[[(phenylamino)carbonyl]oxy]-2-naphthacenecarboxamide
- IUPAC
- [(1S,4aR,11S,11aR,12S,12aR)-3-carbamoyl-1-(dimethylamino)-4,6,7,11,12-pentahydroxy-11-methyl-2,5-dioxo-1,11a,12,12a-tetrahydrotetracen-4a-yl] N-phenylcarbamate
Names & synonyms
DTXSID801098961(4S,4aR,5S,5aR,6S,12aS)-4-(Dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12-pentahydroxy-6-methyl-1,11-dioxo-12a-[[(phenylamino)carbonyl]oxy]-2-naphthacenecarboxamide121355-89-3
Database identifiers
- CAS
121355-89-3- PubChem CID
- 165366145
- DTXSID
DTXSID801098961
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 220 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 5
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 1,260
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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