O-Ethyl N-((4-((6-deoxy-alpha-L-mannopyranosyl)oxy)phenyl)methyl)carbamothioate
Basic information
- CAS
147821-49-6- Standard SMILES
CCOC(=S)NCc1ccc(O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)cc1- InChIKey
JOSHUAQJVMGTGS-NBUQLFNLSA-N- Molecular formula
- C16H23NO6S
- Average molar mass
- 357.4 g/mol
- Monoisotopic mass
- 357.12460863
Names & identifiers
- Preferred name
- O-Ethyl N-((4-((6-deoxy-alpha-L-mannopyranosyl)oxy)phenyl)methyl)carbamothioate
- IUPAC
- O-ethyl N-[[4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphenyl]methyl]carbamothioate
- English name
- [[2-ethyl-4-[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxy- phenyl]methylamino]methanethioic acid
- Molecular formula
- C16H23NO6S
- Molecular weight
- 357.42
Names & synonyms
147821-49-6O-Ethyl N-[[4-[(6-deoxy-alpha-L-mannopyranosyl)oxy]phenyl]methyl]carbamothioateO-Ethyl N-((4-((6-deoxy-alpha-L-mannopyranosyl)oxy)phenyl)methyl)carbamothioateRefChem:1093644orb1682018SCHEMBL29899530HY-N8503TN4652AKOS040762116[[2-ethyl-4-[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxy- phenyl]methylamino]methanethioic acidCS-0145192O-Ethyl N-[[4-[(6-deoxy-|_-L-mannopyranosyl)oxy]phenyl]methyl]carbamothioate
Show more names
niazimicin ACarbamothioic acid, N-[[4-[(6-deoxy-α-L-mannopyranosyl)oxy]phenyl]methyl]-, O-ethyl ester
Database identifiers
- CAS
147821-49-6
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 404
Physicochemical properties
- Boiling point
- 535.7 · 535.7±60.0 °C(Predicted)
- Density
- 1.354 · 1.354±0.06 g/cm3(Predicted)
- pka
- 12.93 · 12.93±0.70(Predicted)
Chemistry & industry
Applications
UsesNiazimicin can be isolated from seeds and leaves of Moringa oleifera Lam. Niazimicin is thiocarbamate compound[1].
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…