1,3,4,5,6-Pentahydroxyhexan-2-One

HCID 1101

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Basic information

CAS: 139686-85-4
Standard SMILES: O=C(CO)C(O)C(O)C(O)CO
InChIKey: BJHIKXHVCXFQLS-UHFFFAOYSA-N
Molecular formula: C6H12O6
Average molar mass: 180.16 g/mol
Monoisotopic mass: 180.0633881

Overview

Sorbose is a ketohexose often involved in the commercial production of vitamin C. It has been found to occur naturally in grapes. It has a role as a plant metabolite.

Names & identifiers

Preferred name: 1,3,4,5,6-Pentahydroxyhexan-2-One
IUPAC: 1,3,4,5,6-pentahydroxyhexan-2-one
English name: fructose
Molecular formula: C6H12O6
Molecular weight: 0

Names & synonyms

1,3,4,5,6-pentahydroxyhexan-2-oneRefChem:1052482Sorbose, L-Esorben139686-85-4Hex-2-uloseL(-)-Sorbose(3R,4R,5R)-1,3,4,5,6-pentahydroxyhexan-2-oneL-SorbinoseL-xylo-2-HexuloseSorbinoseSorbin

Show more names

2-Hexulose

xylo-HexuloseD-LevuloseL-1,3,4,5,6-Pentahydroxyhexan-2-oneTagatose, D- (8CI)hexuloseAllulose powderMFCD00083478NSC 97195

Database identifiers

CAS: 139686-85-4、87-79-6
PubChem CID: 1101
DTXSID: DTXSID50859146
ChEMBL: CHEMBL23894
ChEBI: CHEBI:27922
Nikkaji: J3.399.668C

Properties

Computed structural properties

XLogP: -3.2
Topological polar surface area: 118 Å²
Hydrogen bond donors: 5
Hydrogen bond acceptors: 6
Rotatable bonds: 5
Heavy atoms: 12
Formal charge: 0
Complexity: 147

Chemistry & industry

Upstream & downstream products

Upstream raw materials

glucose

Suppliers1 total

西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]

Additional notes

DefinitionChEBI: Sorbose is a ketohexose often involved in the commercial production of vitamin C. It has been found to occur naturally in grapes. It has a role as a plant metabolite.