Acetic acid 2,3-diacetoxy-7-acetylamino-heptyl ester
Basic information
- CAS
301843-98-1- Standard SMILES
CC(=O)NCCCC[C@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O- InChIKey
JRUWKTXMXYIKFE-LSDHHAIUSA-N- Molecular formula
- C15H25NO7
- Average molar mass
- 331.36 g/mol
- Monoisotopic mass
- 331.16310214
Names & identifiers
- Preferred name
- Acetic acid 2,3-diacetoxy-7-acetylamino-heptyl ester
- IUPAC
- [(2R,3S)-7-acetamido-2,3-diacetyloxyheptyl] acetate
Names & synonyms
Acetic acid 2,3-diacetoxy-7-acetylamino-heptyl esterCHEMBL478468DTXSID401240182301843-98-1(2R,3S)-7-acetamidoheptane-1,2,3-triyl triacetate[(2R,3S)-7-acetamido-2,3-diacetoxy-heptyl] acetateN-[(5S,6R)-5,6,7-Tris(acetyloxy)heptyl]acetamide
Database identifiers
- CAS
301843-98-1- PubChem CID
- 5273679
- DTXSID
DTXSID401240182- ChEMBL
CHEMBL478468- Nikkaji
- J1.412.666J
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 13
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 422
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Related reactions
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Compound notes
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