Basic information
- CAS
90581-35-4- Standard SMILES
CC(=O)C1OC(O)C(O)C1O- InChIKey
VTYZWSTWPSLGHX-UHFFFAOYSA-N- Molecular formula
- C6H10O5
- Average molar mass
- 162.14 g/mol
Names & identifiers
- Preferred name
- 1-(3,4,5-Trihydroxyoxolan-2-yl)ethanone
- IUPAC
- 1-(3,4,5-trihydroxyoxolan-2-yl)ethanone
- English name
- beta-D-xylo-Hexofuranos-5-ulose, 6-deoxy- (9CI)
- Molecular formula
- C6H10O5
- Molecular weight
- 162.14
Names & synonyms
beta-D-xylo-Hexofuranos-5-ulose, 6-deoxy- (9CI)
Database identifiers
- CAS
90581-35-4
Properties
Computed structural properties
- XLogP
- -1.6
- Topological polar surface area
- 87 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 168
Physicochemical properties
- Boiling point
- 359.118 · 359.118±42.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.59 · 1.590±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 11.886 · 11.886±0.70(predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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