tert-butyl (2S,3R)-3-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoate
Completing data — refresh the page later to see the latest
Basic information
- CAS
189561-75-9- Standard SMILES
CC(=O)N[C@H]1[C@@H](O[C@H](C)[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)OC(C)(C)C)O[C@H](CO)[C@H](O)[C@@H]1O- InChIKey
FRXKRSLMYDTJNG-GFZOGSFZSA-N- Molecular formula
- C31H40N2O10
- Average molar mass
- 600.7 g/mol
Names & identifiers
- Preferred name
- tert-butyl (2S,3R)-3-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoate
- IUPAC
- tert-butyl (2S,3R)-3-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoate
- English name
- 2-Acetamido-2-deoxy-a-D-galactopyranosyl-(N-Fmoc)-L-threonine tert-butyl ester
- Molecular formula
- C31H40N2O10
- Molecular weight
- 600.66
Names & synonyms
2-Acetamido-2-deoxy-a-D-galactopyranosyl-(N-Fmoc)-L-threonine tert-butyl esterL-Threonine, O-[2-(acetylamino)-2-deoxy-α-D-galactopyranosyl]-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, 1,1-dimethylethyl ester
Database identifiers
- CAS
189561-75-9- Nikkaji
- J1.379.221F
Properties
Computed structural propertiesFilling in
- XLogP
- 2.2
- Topological polar surface area
- 173 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 12
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 951
Physicochemical properties
- Boiling point
- 859.9 · 859.9±65.0 °C(Predicted)
- Density
- 1.34 · 1.34±0.1 g/cm3(Predicted)
- pka
- 10.03 · 10.03±0.46(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…