D-Glucose, 6-benzoate
Basic information
- CAS
14200-76-1- Standard SMILES
O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)COC(=O)c1ccccc1- InChIKey
VKUVHQLMDOUYND-IRCOFANPSA-N- Molecular formula
- C13H16O7
- Average molar mass
- 284.26 g/mol
- Monoisotopic mass
- 284.08960285
Names & identifiers
- Preferred name
- D-Glucose, 6-benzoate
- IUPAC
- [(2R,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexyl] benzoate
Names & synonyms
D-Glucose, 6-benzoate14200-76-1RefChem:336512(2R,3R,4S,5R)-2,3,4,5-TETRAHYDROXY-6-OXOHEXYL BENZOATE[(2R,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexyl] benzoateGlucose-6-benzoat6-O-Benzoyl-D-glucoseSCHEMBL2881490DTXSID701314639V10209
Database identifiers
- CAS
14200-76-1- PubChem CID
- 20056718
- DTXSID
DTXSID701314639
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 314
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Compound notes
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