5-Thio-D-glucopyranose
Basic information
- CAS
16505-91-2- Standard SMILES
OCC1SC(O)C(O)C(O)C1O- InChIKey
KNWYARBAEIMVMZ-UHFFFAOYSA-N- Molecular formula
- C6H12O5S
- Average molar mass
- 196.22 g/mol
- Monoisotopic mass
- 196.04054465
Names & identifiers
- Preferred name
- 5-Thio-D-glucopyranose
- IUPAC
- 6-(hydroxymethyl)thiane-2,3,4,5-tetrol
Names & synonyms
5-Thio-D-glucopyranose16505-91-2DTXSID10308569RefChem:103454DTXCID40259696KNWYARBAEIMVMZ-UHFFFAOYSA-NMLS003389311D-glucopyranose, 5-thio-5-ThiohexopyranoseSCHEMBL430181NSC2049842H-Thiopyran, D-glucopyranose deriv.
Show more names
SMR002048966
Database identifiers
- CAS
16505-91-2- PubChem CID
- 307185
- DTXSID
DTXSID10308569
Properties
Computed structural properties
- XLogP
- -1.8
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 155
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Related reactions
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Compound notes
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