Basic information
- CAS
106083-70-9- Standard SMILES
CC(C)(CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H](O)C(=O)NCCCC(=O)O- InChIKey
FFLBVZWAGYJUDM-ZCBWMVENSA-N- Molecular formula
- C16H29NO10
- Average molar mass
- 395.4 g/mol
- Monoisotopic mass
- 395.17914612
Overview
urinary metabolite of calcium hopantenate in dogs
Names & identifiers
- Preferred name
- Hopantenic acid glucoside
- IUPAC
- 4-[[(2R)-2-hydroxy-3,3-dimethyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoyl]amino]butanoic acid
- English name
- hopantenic acid glucoside
- Molecular formula
- C16H29NO10
- Molecular weight
- 395.40216
Names & synonyms
Hopantenic acid glucoside106083-70-9DTXSID801475034'-O-(beta-D-Glucopyranosyl)-D-hopantenic acidHOPA beta-glucosideRefChem:146815DTXCID7069994Hopabeta-glucoside4-[(2R)-4-(beta-D-Glucopyranosyloxy)-2-hydroxy-3,3-dimethylbutanamido]butanoic acid
Database identifiers
- CAS
106083-70-9- PubChem CID
- 129183
- DTXSID
DTXSID80147503
Properties
Computed structural properties
- XLogP
- -2.3
- Topological polar surface area
- 186 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 10
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 500
Chemistry & industry
Applications
DescriptionHopantenic acid glucoside is a urinary metabolite of calcium hopantenate in dogs.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…