Basic information
- CAS
23598-27-8- Standard SMILES
COC1OC(C=O)C(O)C(O)C1O- InChIKey
HQELTDCENJWLGH-UHFFFAOYSA-N- Molecular formula
- C7H12O6
- Average molar mass
- 192.17 g/mol
- Monoisotopic mass
- 192.0633881
Names & identifiers
- Preferred name
- Methyl hexodialdo-1,5-pyranoside
- IUPAC
- 3,4,5-trihydroxy-6-methoxyoxane-2-carbaldehyde
Names & synonyms
23598-27-8methyl hexodialdo-1,5-pyranosideNSC129244SCHEMBL19502333DTXSID10946400NSC-129244
Database identifiers
- CAS
23598-27-8- PubChem CID
- 279079
- DTXSID
DTXSID10946400
Properties
Computed structural properties
- XLogP
- -1.9
- Topological polar surface area
- 96.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 184
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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