2'-Nitrophenyl-2-acetamido-2-deoxy-alpha-D-glucopyranoside
Basic information
- CAS
10139-01-2- Standard SMILES
CC(=O)N[C@H]1[C@@H](Oc2ccccc2[N+](=O)[O-])O[C@H](CO)[C@@H](O)[C@@H]1O- InChIKey
PXMQUEGJJUADKD-KSTCHIGDSA-N- Molecular formula
- C14H18N2O8
- Average molar mass
- 342.3 g/mol
- Monoisotopic mass
- 342.10631554
Overview
2-nitrophenyl N-acetyl-alpha-D-glucosaminide is an N-acetyl-alpha-D-glucosaminide in which the anomeric hydroxy hydrogen is replaced by a 2-nitrophenyl group. It has a role as a chromogenic compound. It is a N-acetyl-alpha-D-glucosaminide and a C-nitro compound. It is functionally related to a 2-nitrophenol.
Names & identifiers
- Preferred name
- 2'-Nitrophenyl-2-acetamido-2-deoxy-alpha-D-glucopyranoside
- IUPAC
- N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(2-nitrophenoxy)oxan-3-yl]acetamide
- English name
- 2'-Nitrophenyl-2-acetamido-2-deoxy-alpha-D-glucopyranoside
- Molecular formula
- C14H18N2O8
- Molecular weight
- 342.3
Names & synonyms
10139-01-22'-Nitrophenyl-2-acetamido-2-deoxy-alpha-D-glucopyranosideN-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(2-nitrophenoxy)oxan-3-yl]acetamide2-Nitrophenyl 2-acetamido-2-deoxy-alpha-D-glucopyranosideo-Nitrophenyl 2-Acetamido-2-deoxy-alpha-D-glucopyranosideGlcNAc1-?-ONP2-nitrophenyl N-acetyl-alpha-D-glucosaminideN-((2R,3R,4R,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-2-(2-nitrophenoxy)tetrahydro-2H-pyran-3-yl)acetamideo-Nitrophenyl 2-Acetamido-2-deoxy-a-D-glucopyranosideEINECS 233-391-3GlcNAc1-| cent-ONPo-nitrophenyl N-acetyl-alpha-D-glucosaminide
Show more names
GLCNAC1-A-ONPGlcNAc1-α-ONP2-nitrophenyl-n-acetyl-α-d-glucosaminide2-NITROPHENYL-N-ACETYL-B-D-GLUCOSAMINIDEO-NITROPHENYL-N-ACETYL A-D-*GLUCOSAMINID E2-NITROPHENYL-N-ACETYL-ALPHA-D-GLUCOSAMINIDEO-NITROPHENYL-N-ACETYL-ALPHA-D-GLUCOSAMINIDE2-Nitrophenyl2-acetamido-2-deoxy-a-D-glucopyranoside
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 154 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 457
Physicochemical properties
- Melting point
- 208 · 208-210 °C(lit.)
- Boiling point
- 477.77 °C · 477.77°C (rough estimate)
- Density
- 1.3038 · 1.3038 (rough estimate)
- refractive index
- 1.511 · 1.5110 (estimate)
- storage temp.
- -20 °C · -20°C
- solubility
- DMSO, Methanol, Water
- form
- Solid
- pka
- 12.84 · 12.84±0.70(Predicted)
- color
- White
- Safety Statements
- 24 · 24/25
- WGK Germany
- 3 · 3
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
- wgk
- 3
- safety_code
- 24/25
Chemistry & industry
Applications
Useso-Nitrophenyl 2-Acetamido-2-deoxy-α-D-glucopyranoside (cas# 10139-01-2) is a compound useful in organic synthesis.
Additional notes
DefinitionChEBI: An N-acetyl-alpha-D-glucosaminide in which the anomeric hydroxy hydrogen is replaced by a 2-nitrophenyl group.
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