(2S,3R,4S,5R)-2-(4-isothiocyanatophenoxy)oxane-3,4,5-triol
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Basic information
- CAS
146194-64-1- Standard SMILES
O[C@@H]1[C@@H](O)[C@H](Oc2ccc(N=C=S)cc2)OC[C@H]1O- InChIKey
LXOYGBMLSKBSRW-KXNHARMFSA-N- Molecular formula
- C12H13NO5S
- Average molar mass
- 283.3 g/mol
Names & identifiers
- Preferred name
- (2S,3R,4S,5R)-2-(4-isothiocyanatophenoxy)oxane-3,4,5-triol
- IUPAC
- (2S,3R,4S,5R)-2-(4-isothiocyanatophenoxy)oxane-3,4,5-triol
- English name
- β-D-Xylopyranosylphenyl isothiocyanate
- Molecular formula
- C12H13NO5S
- Molecular weight
- 283.3
Names & synonyms
146194-64-1β-D-Xylopyranosylphenyl isothiocyanateβ-D-Xylopyranosylphenyl isothiocyanateβ-D-Xylopyranoside, 4-isothiocyanatophenyl
Database identifiers
- CAS
146194-64-1
Properties
Computed structural propertiesFilling in
- XLogP
- 1.2
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 341
Physicochemical properties
- storage temp.
- -20 °C · -20°C
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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