Trifluoroacetamidopropyl-2-acetamido-2-deoxygalactopyranoside
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Basic information
- CAS
122998-73-6- Standard SMILES
CC(=O)N[C@H]1[C@H](OCCCNC(=O)C(F)(F)F)O[C@H](CO)[C@H](O)[C@@H]1O- InChIKey
PMGBPPBZXKSUBY-KAMPLNKDSA-N- Molecular formula
- C13H21F3N2O7
- Average molar mass
- 374.31 g/mol
- Monoisotopic mass
- 374.1300855
Overview
precursor in synthesis of artificial T antigen; RN given refers to beta-D-galactopyranoside; RN for cpd without isomeric designation not available 11/89
Names & identifiers
- Preferred name
- Trifluoroacetamidopropyl-2-acetamido-2-deoxygalactopyranoside
- IUPAC
- N-[3-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl]-2,2,2-trifluoroacetamide
- English name
- trifluoroacetamidopropyl-2-acetamido-2-deoxygalactopyranoside
- Molecular formula
- C13H21F3N2O7
- Molecular weight
- 374.31
Names & synonyms
Tfapadg122998-73-6Trifluoroacetamidopropyl-2-acetamido-2-deoxygalactopyranosideDTXSID80153821RefChem:191576DTXCID2076312N-[3-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl]-2,2,2-trifluoroacetamideN-{3-[(2-Acetamido-2-deoxy-beta-D-galactopyranosyl)oxy]propyl}-2,2,2-trifluoroacetamideAcetamide, N-(3-((2-(acetylamino)-2-deoxy-beta-D-galactopyranosyl)oxy)propyl)-2,2,2-trifluoro-
Database identifiers
- CAS
122998-73-6- PubChem CID
- 129799
- DTXSID
DTXSID80153821
Properties
Computed structural propertiesFilling in
- XLogP
- -1.3
- Topological polar surface area
- 137 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 463
Physicochemical properties
- Boiling point
- 639.887 · 639.887±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.457 · 1.457±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 11.132 · 11.132±0.46(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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