2-(Acetoxymethyl)-6-((3-glycoloyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl)oxy)-5-(2,2,2-trifluoroacetamido)tetrahydro-2H-pyran-3,4-diyl diacetate
Basic information
- CAS
79974-27-9- Standard SMILES
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1NC(=O)C(F)(F)F- InChIKey
DWOXTSJRCMHPTH-UHFFFAOYSA-N- Molecular formula
- C35H34F3NO17
- Average molar mass
- 797.6 g/mol
- Monoisotopic mass
- 797.1778831
Names & identifiers
- Preferred name
- 2-(Acetoxymethyl)-6-((3-glycoloyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl)oxy)-5-(2,2,2-trifluoroacetamido)tetrahydro-2H-pyran-3,4-diyl diacetate
- IUPAC
- [3,4-diacetyloxy-5-[(2,2,2-trifluoroacetyl)amino]-6-[[3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-2-yl]methyl acetate
Names & synonyms
DTXSID308606942-(Acetoxymethyl)-6-((3-glycoloyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl)oxy)-5-(2,2,2-trifluoroacetamido)tetrahydro-2H-pyran-3,4-diyl diacetate3,5,12-Trihydroxy-3-(hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3,4,6-tri-O-acetyl-2-deoxy-2-(2,2,2-trifluoroacetamido)hexopyranoside79974-27-9
Database identifiers
- CAS
79974-27-9- PubChem CID
- 165367703
- DTXSID
DTXSID30860694
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 268 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 20
- Rotatable bonds
- 13
- Heavy atoms
- 56
- Formal charge
- 0
- Complexity
- 1,580
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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