Basic information
- Standard SMILES
COC1OC(C(=O)O)C(O)C(O)C1O- InChIKey
BOFXVYGDIRCHEQ-UHFFFAOYSA-N- Molecular formula
- C7H12O7
- Average molar mass
- 208.17 g/mol
- Monoisotopic mass
- 208.05830272
Names & identifiers
- Preferred name
- Methyl hexopyranosiduronic acid
- IUPAC
- 3,4,5-trihydroxy-6-methoxyoxane-2-carboxylic acid
Names & synonyms
Methyl hexopyranosiduronic acidSCHEMBL850007DTXSID609013273,4,5aTrihydroxya6amethoxyoxanea2acarboxylic acid3,4,5-trihydroxy-6-methoxy-tetrahydropyran-2-carboxylic acid
Database identifiers
- PubChem CID
- 413696
- DTXSID
DTXSID60901327
Properties
Computed structural properties
- XLogP
- -1.8
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 218
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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