N-[(2S,3R,4R,5R,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-2-(2-nitrophenoxy)oxan-3-YL]acetamide
Basic information
- CAS
152957-34-1- 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-RKQHYHRCSA-N- Molecular formula
- C14H18N2O8
- Average molar mass
- 342.3 g/mol
Names & identifiers
- Preferred name
- N-[(2S,3R,4R,5R,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-2-(2-nitrophenoxy)oxan-3-YL]acetamide
- IUPAC
- N-[(2S,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(2-nitrophenoxy)oxan-3-yl]acetamide
- English name
- o-Nitrophenyl-N-acetyl-beta-D-galactosaminide
- Molecular formula
- C14H18N2O8
- Molecular weight
- 342.3
Names & synonyms
152957-34-1N-[(2S,3R,4R,5R,6R)-4,5-DIHYDROXY-6-(HYDROXYMETHYL)-2-(2-NITROPHENOXY)OXAN-3-YL]ACETAMIDE2-Nitrophenyl 2-acetamido-2-deoxy-b-D-galactopyranoseN-((2S,3R,4R,5R,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-2-(2-nitrophenoxy)tetrahydro-2H-pyran-3-yl)acetamideO-NITROPHENYL-N-ACETYL-BETA-D-GALACTOSAMINIDE2-Nitrophenyl 2-acetamido-2-deoxy-b-D-galactopyranosideSCHEMBL10616649EN050782-Nitrophenyl 2-acetamido-2-deoxy-beta-D-galactopyranosideo-nitrophenyl-N-acetyl-β-D-galactoside2-Nitrophenyl-N-acetyl-β-D-galactosaminideO-nitrophenyl-N-acetyl-B-D-*galactosaminide
Show more names
2-Nitrophenyl-N-acetyl-beta-D-galactosaminide2-Nitrophenyl2-acetamido-2-deoxy-b-D-galactopyranose2-Nitrophenyl 2-acetamido-2-deoxy-β-D-galactopyranose(2-Nitrophenyl)-2-acetamido-2-deoxy-β-D-galactopyranose2-NITROPHENYL-2-ACETAMIDO-2-DEOXY-BETA-D-GALACTOPYRANOSIDE
Database identifiers
- CAS
152957-34-1- Nikkaji
- J2.008.481B
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
- storage temp.
- 20 °C · −20°C
- WGK Germany
- 3 · 3
- HS Code
- 29329990 · 29329990
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
- hs_code
- 29329990
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…