Basic information
- CAS
17302-80-6- Standard SMILES
O=C(CO)COS(=O)(=O)O- InChIKey
ZHFQGMZFDJMJMH-UHFFFAOYSA-N- Molecular formula
- C3H6O6S
- Average molar mass
- 170.14 g/mol
- Monoisotopic mass
- 169.98850908
Overview
Glycerone sulfate is a primary alpha-hydroxy ketone and a carbohydrate sulfate. It is functionally related to a dihydroxyacetone.
Names & identifiers
- Preferred name
- Glycerone sulfate
- IUPAC
- (3-hydroxy-2-oxopropyl) hydrogen sulfate
- English name
- 2-Propanone, 1-hydroxy-3-(sulfooxy)-
- Molecular formula
- C3H6O6S
- Molecular weight
- 170.14
Names & synonyms
Glycerone sulfate3-hydroxy-2-oxopropyl hydrogen sulfateCHEBI:27894RefChem:938014GlyTouCan:G97803IPG97803IP(3-hydroxy-2-oxopropyl) hydrogen sulfate17302-80-6dihydroxyacetone monosulfateDTXSID50331437SY459589C02543
Show more names
2-Propanone, 1-hydroxy-3-(sulfooxy)-
Q27103392
Database identifiers
- CAS
17302-80-6- PubChem CID
- 439751
- DTXSID
DTXSID50331437- ChEBI
CHEBI:27894- Nikkaji
- J2.738.921J
Properties
Computed structural properties
- XLogP
- -1.7
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 198
Physicochemical properties
- Density
- 1.743 · 1.743±0.06 g/cm3(Predicted)
- pka
- -4.12 · -4.12±0.18(Predicted)
Chemistry & industry
Suppliers1 total
韶远科技（上海）有限公司4000665055 · [email protected]
Additional notes
DefinitionChEBI: Glycerone sulfate is a carbohydrate sulfate and a primary alpha-hydroxy ketone. It is functionally related to a dihydroxyacetone.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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