Basic information
- CAS
157707-92-1- Standard SMILES
CC(=O)NC1C(O)CC(Oc2ccccc2[N+](=O)[O-])(C(=O)O)OC1C(O)C(O)CO- InChIKey
HWBGFIGDTJBVQD-UHFFFAOYSA-N- Molecular formula
- C17H22N2O11
- Average molar mass
- 430.4 g/mol
- Monoisotopic mass
- 430.12235952
Names & identifiers
- Preferred name
- 5-acetamido-4-hydroxy-2-(2-nitrophenoxy)-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic Acid
- IUPAC
- 5-acetamido-4-hydroxy-2-(2-nitrophenoxy)-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid
- English name
- 2-O-(o-Nitrophenyl)-alpha-D-N-acetylneuraminic acid
- Molecular formula
- C17H22N2O11
- Molecular weight
- 430.36
Names & synonyms
157707-92-15-acetamido-4-hydroxy-2-(2-nitrophenoxy)-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic Acid2-O-(o-Nitrophenyl)-alpha-D-N-acetylneuraminic acidDTXSID603992202-Nitrophenyl 5-acetamido-3,5-dideoxynon-2-ulopyranosidonic acidONP-NeuNAc2-o-(o-nitrophenyl)-α-d-n-acetylneuraminic acid2-O-(2-Nitrophenyl)-α-D-N-acetylneuraminic acidα-Neuraminic acid, N-acetyl-2-O-(2-nitrophenyl)-2-O-(O-nitrophenyl)-A-D-N-*acetylneuraminic acid
Database identifiers
- CAS
157707-92-1- PubChem CID
- 4092425
- DTXSID
DTXSID60399220
Properties
Computed structural properties
- XLogP
- -1.3
- Topological polar surface area
- 212 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 642
Physicochemical properties
- Boiling point
- 853.3 · 853.3±65.0 °C(Predicted)
- Density
- 1.61 · 1.61±0.1 g/cm3(Predicted)
- storage temp.
- 20 °C · −20°C
- pka
- 1.38 · 1.38±0.70(Predicted)
- 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
Chemistry & industry
Applications
Uses2-O-(2-Nitrophenyl)-a-D-N-acetylneuraminic acid is used in production and use of bifidogenic glycosylated galactosyl disaccharides in consumable products.
Suppliers3 total
上海凯森斯生物科技有限公司18616988519 · [email protected]
深圳市金赛途生物科技有限公司0755-23251735 13302967066 · [email protected]
上海楷森生物科技有限公司17558870519 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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