Basic information
- CAS
62948-58-7- Standard SMILES
CCC1CCC(=O)OC2C(OC(C)=O)C(OC(C)=O)C3(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C4C(OC(=O)c5ccccc5)C3(OC4(C)COC(=O)c3cccnc31)C2C- InChIKey
DSIMUNJDGBYLQE-UHFFFAOYSA-N- Molecular formula
- C44H51NO17
- Average molar mass
- 865.9 g/mol
- Monoisotopic mass
- 865.31569916
Names & identifiers
- Preferred name
- [19,20,22,23-Tetraacetyloxy-21-(acetyloxymethyl)-13-ethyl-3,26-dimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.01,21.03,24.07,12]hexacosa-7(12),8,10-trien-25-yl] benzoate
- IUPAC
- [19,20,22,23-tetraacetyloxy-21-(acetyloxymethyl)-13-ethyl-3,26-dimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.01,21.03,24.07,12]hexacosa-7(12),8,10-trien-25-yl] benzoate
Database identifiers
- CAS
62948-58-7- PubChem CID
- 3530571
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 233 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 18
- Rotatable bonds
- 15
- Heavy atoms
- 62
- Formal charge
- 0
- Complexity
- 1,760
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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