D-Glucitol 1-(3-mercaptopropionate)
Basic information
- CAS
68928-45-0- Standard SMILES
O=C(CCS)OCC(O)C(O)C(O)C(O)CO- InChIKey
HFFGLIQNBUXATK-UHFFFAOYSA-N- Molecular formula
- C9H18O7S
- Average molar mass
- 270.3 g/mol
- Monoisotopic mass
- 270.07732408
Overview
See also: D-Glucitol, 1-(3-mercaptopropanoate) (annotation moved to).
Names & identifiers
- Preferred name
- D-Glucitol 1-(3-mercaptopropionate)
- IUPAC
- 2,3,4,5,6-pentahydroxyhexyl 3-sulfanylpropanoate
Names & synonyms
D-Glucitol 1-(3-mercaptopropionate)
Database identifiers
- CAS
68928-45-0- PubChem CID
- 111450
Properties
Computed structural properties
- XLogP
- -2.8
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 225
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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