Basic information
- CAS
94730-47-9- Standard SMILES
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(C)=O)CC3OC1CC(N2CCOCC2C#N)C(O)C(C)O1- InChIKey
HTTPDXWOJNATIS-UHFFFAOYSA-N- Molecular formula
- C32H34N2O11
- Average molar mass
- 622.6 g/mol
- Monoisotopic mass
- 622.2162599
Names & identifiers
- Preferred name
- 4-[6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-3-hydroxy-2-methyloxan-4-yl]morpholine-3-carbonitrile
- IUPAC
- 4-[6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-3-hydroxy-2-methyloxan-4-yl]morpholine-3-carbonitrile
Names & synonyms
94730-47-9DTXSID809153403-Acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-(3-cyanomorpholin-4-yl)-2,3,6-trideoxyhexopyranoside
Database identifiers
- CAS
94730-47-9- PubChem CID
- 94698
- DTXSID
DTXSID80915340
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 196 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 5
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 1,220
Experimental & physicochemical properties
LogP2.59
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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