[1-Acetamido-3,4,5-triacetyloxy-6,6-bis(ethylsulfanyl)hexan-2-yl] acetate
Basic information
- CAS
4768-53-0- Standard SMILES
CCSC(SCC)C(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(CNC(C)=O)OC(C)=O- InChIKey
BPVRZXPLTAKTTE-UHFFFAOYSA-N- Molecular formula
- C20H33NO9S2
- Average molar mass
- 495.6 g/mol
- Monoisotopic mass
- 495.15967398
Names & identifiers
- Preferred name
- [1-Acetamido-3,4,5-triacetyloxy-6,6-bis(ethylsulfanyl)hexan-2-yl] acetate
- IUPAC
- [1-acetamido-3,4,5-triacetyloxy-6,6-bis(ethylsulfanyl)hexan-2-yl] acetate
Names & synonyms
4768-53-0[1-acetamido-3,4,5-triacetyloxy-6,6-bis(ethylsulfanyl)hexan-2-yl] acetateNSC170165DTXSID40305309NSC-1701651-Acetamido-6,6-bis(ethylsulfanyl)hexane-2,3,4,5-tetrayl tetraacetate
Database identifiers
- CAS
4768-53-0- PubChem CID
- 298253
- DTXSID
DTXSID40305309
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 185 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 18
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 653
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Related reactions
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Compound notes
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