3,4-Dinitrophenyl-N-acetylglucosaminide
Basic information
- CAS
71693-36-2- Standard SMILES
CC(=O)N[C@H]1[C@H](Oc2ccc([N+](=O)[O-])c([N+](=O)[O-])c2)O[C@H](CO)[C@@H](O)[C@@H]1O- InChIKey
VNRVFJBSTVDYLL-DHGKCCLASA-N- Molecular formula
- C14H17N3O10
- Average molar mass
- 387.3 g/mol
- Monoisotopic mass
- 387.09139375
Overview
substrate for direct spectrophotometric assay of N-acetylglucosaminidase or N-acetylhexosaminidase
Names & identifiers
- Preferred name
- 3,4-Dinitrophenyl-N-acetylglucosaminide
- IUPAC
- N-[(2S,3R,4R,5S,6R)-2-(3,4-dinitrophenoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
- English name
- 3,4-Dinitrophenyl-N-acetyl-β-d-*glucosam inide
- Molecular formula
- C14H17N3O10
- Molecular weight
- 387.3
Names & synonyms
3,4-Dinitrophenyl-N-acetylglucosaminide3,4-Dpnag71693-36-23,4-Dinitrophenyl-N-acetyl-beta-D-glucosaminideDTXSID80221918RefChem:91235DTXCID10144409N-[(2S,3R,4R,5S,6R)-2-(3,4-dinitrophenoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamidebeta-D-Glucopyranoside, 3,4-dinitrophenyl 2-(acetylamino)-2-deoxy-SCHEMBL62480373,4-Dinitrophenyl 2-acetamido-2-deoxy-beta-D-glucopyranoside3,4-Dinitrophenyl N-acetyl-β-D-glucosaminide
Show more names
3,4-Dinitrophenyl-N-acetyl-β-d-*glucosam inideβ-D-Glucopyranoside, 3,4-dinitrophenyl 2-(acetylamino)-2-deoxy-
Database identifiers
- CAS
71693-36-2
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 200 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 564
Physicochemical properties
- Boiling point
- 782.583 · 782.583±60.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.63 · 1.630±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- -20 °C · -20°C
- pka
- 5.42 · 5.42
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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