N-benzoyl-D-glucosamine
Basic information
- CAS
655-42-5- Standard SMILES
O=CC(NC(=O)c1ccccc1)C(O)C(O)C(O)CO- InChIKey
QCYHKZRHOGVACA-IRCOFANPSA-N- Molecular formula
- C13H17NO6
- Average molar mass
- 283.28 g/mol
- Monoisotopic mass
- 283.10558726
Names & identifiers
- Preferred name
- N-benzoyl-D-glucosamine
- IUPAC
- N-(3,4,5,6-tetrahydroxy-1-oxohexan-2-yl)benzamide
- English name
- N-Benzoyl-D-glucosamine
- Molecular formula
- C13H17NO6
- Molecular weight
- 283.28
Names & synonyms
N-Benzoyl-D-glucosamine655-42-5NSC 231847D-Glucose, 2-(benzoylamino)-2-deoxy-RefChem:162895QCYHKZRHOGVACA-UHFFFAOYSA-NN-(3,4,5,6-tetrahydroxy-1-oxohexan-2-yl)benzamideNSC231847SCHEMBL29183761DTXSID809840962-(Benzoylamino)-2-deoxyhexose #NSC-231847
Show more names
SKL031N-((2R,3R,4S,5R)Benzoyl-d-glucosamineN-Benzoyl-D-glucosamine >2-BENZAMIDO-2-DEOXY-D-GLUCOSE2-Benzoylamino-2-deoxy-D-glucoseN-BENZOYL-D-GLUCOSAMINE USP/EP/BP2-BENZAMIDO-2-DEOXY-D-GLUCOPYRANOSE2-Benzamido-0-deoxy-D-glucopyranose
SB469362-Deoxy-2-{[hydroxy(phenyl)methylidene]amino}hexose
Database identifiers
- CAS
655-42-5- PubChem CID
- 99829
- DTXSID
DTXSID80984096
Properties
Computed structural properties
- XLogP
- -1.8
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 318
Physicochemical properties
- Melting point
- 196 · 196-200 °C (decomp)
- Boiling point
- 682.4 · 682.4±55.0 °C(Predicted)
- Density
- 1.408 · 1.408±0.06 g/cm3(Predicted)
- refractive index
- 43 ° · 43 ° (C=2, H2O, after 24h)
- storage temp.
- Sealed in dry,Room Temperature
- Water Solubility
- almost transparency in hot Water
- form
- powder to crystal
- pka
- 12.78 · 12.78±0.46(Predicted)
- color
- White to Almost white
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 29400090 · 29400090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 29400090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesN-Benzoyl-D-glucosamine is a biochemical reagent that can be used as a biological material or organic compound for life science related research.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…