N-[6-[(3-acetyl-3,5,12-trihydroxy-6,11-dioxo-10-phenylmethoxy-2,4-dihydro-1H-tetracen-1-yl)oxy]-3-hydroxy-2-methyloxan-4-yl]-2,2,2-trifluoroacetamide
Basic information
- CAS
67665-74-1- Standard SMILES
CC(=O)C1(O)Cc2c(O)c3c(c(O)c2C(OC2CC(NC(=O)C(F)(F)F)C(O)C(C)O2)C1)C(=O)c1c(OCc2ccccc2)cccc1C3=O- InChIKey
CICUVBPDHLAPPS-UHFFFAOYSA-N- Molecular formula
- C35H32F3NO11
- Average molar mass
- 699.6 g/mol
- Monoisotopic mass
- 699.19274532
Names & identifiers
- Preferred name
- N-[6-[(3-acetyl-3,5,12-trihydroxy-6,11-dioxo-10-phenylmethoxy-2,4-dihydro-1H-tetracen-1-yl)oxy]-3-hydroxy-2-methyloxan-4-yl]-2,2,2-trifluoroacetamide
- IUPAC
- N-[6-[(3-acetyl-3,5,12-trihydroxy-6,11-dioxo-10-phenylmethoxy-2,4-dihydro-1H-tetracen-1-yl)oxy]-3-hydroxy-2-methyloxan-4-yl]-2,2,2-trifluoroacetamide
Names & synonyms
67665-74-1NSC286629DTXSID40314633AG-G-56215NSC-2866293-Acetyl-10-(benzyloxy)-3,5,12-trihydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,3,6-trideoxy-3-(2,2,2-trifluoroacetamido)hexopyranoside
Database identifiers
- CAS
67665-74-1- PubChem CID
- 323809
- DTXSID
DTXSID40314633
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 189 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 7
- Heavy atoms
- 50
- Formal charge
- 0
- Complexity
- 1,310
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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