Basic information
- CAS
5115-88-8- Standard SMILES
CCSC(SCC)C(OC(C)=O)C(OC(C)=O)C(COC(C)=O)OC(C)=O- InChIKey
OGSWVSGRSHUBOP-UHFFFAOYSA-N- Molecular formula
- C17H28O8S2
- Average molar mass
- 424.5 g/mol
- Monoisotopic mass
- 424.12255986
Names & identifiers
- Preferred name
- 2-(Acetyloxy)-1-[1,2-di(acetyloxy)ethyl]-3,3-di(ethylthio)propyl acetate
- IUPAC
- [2,3,4-triacetyloxy-5,5-bis(ethylsulfanyl)pentyl] acetate
- English name
- 2-O,3-O,4-O,5-O-Tetraacetyl-1,1-bis(ethylthio)-1-deoxo-D-arabinose
- Molecular formula
- C17H28O8S2
- Molecular weight
- 424.53
Names & synonyms
Tetra-O-acetyl-D-arabinose diethyl dithioacetal5115-88-82-(acetyloxy)-1-[1,2-di(acetyloxy)ethyl]-3,3-di(ethylthio)propyl acetateD-Arabinose, diethyl mercaptal, tetraacetate5329-45-3D-Arabinose, tetraacetateArabinose, diethyl mercaptal, tetraacetate, D-Arabinose, tetraacetate, D-L-ARABINOSE, TETRAACETATEDTXSID00277331NSC1691NSC2556
Show more names
D-Arabinose, diethyl dithioacetal, 2,3,4,5-tetraacetate2-O,3-O,4-O,5-O-Tetraacetyl-1,1-bis(ethylthio)-1-deoxo-D-arabinose1,1-Bis(ethylthio)-1-deoxo-2-O,3-O,4-O,5-O-tetraacetyl-D-arabinose
OGSWVSGRSHUBOP-UHFFFAOYSA-NNSC-1691NSC-25565,5-Bis(ethylsulfanyl)pentane-1,2,3,4-tetrayl tetraacetate
Database identifiers
- CAS
5115-88-8、5329-45-3
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 156 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 16
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 505
Physicochemical properties
- Melting point
- 74 °C · 74 °C
- Boiling point
- 451.1 · 451.1±45.0 °C(Predicted)
- Density
- 1.204 · 1.204±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…