Basic information
- CAS
95593-76-3- Standard SMILES
OC[C@H]1OC(CO)(Oc2ccc(O)cc2)[C@@H](O)[C@@H]1O- InChIKey
KOTHHACKJKOJIJ-YIBTVLSRSA-N- Molecular formula
- C12H16O7
- Average molar mass
- 272.25 g/mol
- Monoisotopic mass
- 272.08960285
Overview
structure given in first source
Names & identifiers
- Preferred name
- 4-Hydroxyphenyl beta-fructofuranoside
- IUPAC
- (3S,4S,5R)-2,5-bis(hydroxymethyl)-2-(4-hydroxyphenoxy)oxolane-3,4-diol
- English name
- 4-hydroxyphenyl beta-fructofuranoside
- Molecular formula
- C12H16O7
- Molecular weight
- 272.25
Names & synonyms
4-Hydroxyphenyl beta-fructofuranoside4-Hpff95593-76-3RefChem:99383DTXSID909149254-Hydroxyphenyl D-fructofuranoside4-Hydroxyphenyl hex-2-ulofuranosideFructofuranoside, p-hydroxyphenyl (7CI)(3S,4S,5R)-2,5-bis(hydroxymethyl)-2-(4-hydroxyphenoxy)oxolane-3,4-diol
Database identifiers
- CAS
95593-76-3- PubChem CID
- 192243
- DTXSID
DTXSID90914925
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 292
Physicochemical properties
- Boiling point
- 552.7 · 552.7±50.0 °C(Predicted)
- Density
- 1.55 · 1.550±0.06 g/cm3(Predicted)
- pka
- 10.24 · 10.24±0.15(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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