Basic information
- Standard SMILES
OCC1(O)OCC(O)C(O)C1O- InChIKey
LKDRXBCSQODPBY-UHFFFAOYSA-N- Molecular formula
- C6H12O6
- Average molar mass
- 180.16 g/mol
- Monoisotopic mass
- 180.0633881
Names & identifiers
- Preferred name
- 2-(Hydroxymethyl)Oxane-2,3,4,5-Tetrol
- IUPAC
- 2-(hydroxymethyl)oxane-2,3,4,5-tetrol
Names & synonyms
2-(hydroxymethyl)oxane-2,3,4,5-tetrolRefChem:935388GlyTouCan:G20049MEG20049MELaevuflexL-[6-13C]sorbosea-d-fructopyranoseL-[5-13C]SORBOSEL-[4-13C]sorboseD-[1,6-13C2]FRUCTOSEFRUCTOSE, (D)D-[4,5-2H2]fructose
Show more names
D-[1-13C]TAGATOSED-[2-13C]tagatoseD-[6-13C]FRUCTOSE686298-95-3NSC9250L-fructose-1-13C249928-59-4478506-36-4
Database identifiers
- CAS
6347-01-9、686298-95-3- PubChem CID
- 3426
- DTXSID
DTXSID10859147- ChEMBL
CHEMBL23954
Properties
Computed structural properties
- XLogP
- -2.8
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 162
Related reactions
0 records
No reaction records under the current filter.
Linked notes
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