ChemSpider 2D Image | 4-O-Carbamoyl-2-deoxy-N-[(3aR,7R,7aS)-7-hydroxy-4-oxo-3a,4,5,6,7,7a-hexahydro-1H-imidazo[4,5-c]pyridin-2-yl]-2-[methyl(N-methylglycyl)amino]-alpha-D-galactopyranosylamine | C17H29N7O8

4-O-Carbamoyl-2-deoxy-N-[(3aR,7R,7aS)-7-hydroxy-4-oxo-3a,4,5,6,7,7a-hexahydro-1H-imidazo[4,5-c]pyridin-2-yl]-2-[methyl(N-methylglycyl)amino]-α-D-galactopyranosylamine

  • Molecular FormulaC17H29N7O8
  • Average mass459.454 Da
  • Monoisotopic mass459.207764 Da
  • ChemSpider ID59701249

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

4-O-Carbamoyl-2-deoxy-N-[(3aR,7R,7aS)-7-hydroxy-4-oxo-3a,4,5,6,7,7a-hexahydro-1H-imidazo[4,5-c]pyridin-2-yl]-2-[methyl(N-methylglycyl)amino]-α-D-galactopyranosylamine [ACD/IUPAC Name]
4-O-Carbamoyl-2-deoxy-N-[(3aR,7R,7aS)-7-hydroxy-4-oxo-3a,4,5,6,7,7a-hexahydro-3H-imidazo[4,5-c]pyridin-2-yl]-2-[methyl(N-methylglycyl)amino]-α-D-galactopyranosylamine [ACD/IUPAC Name]
4-O-Carbamoyl-2-desoxy-N-[(3aR,7R,7aS)-7-hydroxy-4-oxo-3a,4,5,6,7,7a-hexahydro-1H-imidazo[4,5-c]pyridin-2-yl]-2-[methyl(N-methylglycyl)amino]-α-D-galactopyranosylamin [German] [ACD/IUPAC Name]
4-O-Carbamoyl-2-désoxy-N-[(3aR,7R,7aS)-7-hydroxy-4-oxo-3a,4,5,6,7,7a-hexahydro-1H-imidazo[4,5-c]pyridin-2-yl]-2-[méthyl(N-méthylglycyl)amino]-α-D-galactopyranosylamine [French] [ACD/IUPAC Name]
4-O-Carbamoyl-2-desoxy-N-[(3aR,7R,7aS)-7-hydroxy-4-oxo-3a,4,5,6,7,7a-hexahydro-3H-imidazo[4,5-c]pyridin-2-yl]-2-[methyl(N-methylglycyl)amino]-α-D-galactopyranosylamin [German] [ACD/IUPAC Name]
4-O-Carbamoyl-2-désoxy-N-[(3aR,7R,7aS)-7-hydroxy-4-oxo-3a,4,5,6,7,7a-hexahydro-3H-imidazo[4,5-c]pyridin-2-yl]-2-[méthyl(N-méthylglycyl)amino]-α-D-galactopyranosylamine [French] [ACD/IUPAC Name]
α-D-Galactopyranosylamine, 2-deoxy-N-[(3aR,7R,7aS)-3a,4,5,6,7,7a-hexahydro-7-hydroxy-4-oxo-1H-imidazo[4,5-c]pyridin-2-yl]-2-[methyl[2-(methylamino)acetyl]amino]-, 4-carbamate [ACD/Index Name]
α-D-Galactopyranosylamine, 2-deoxy-N-[(3aR,7R,7aS)-3a,4,5,6,7,7a-hexahydro-7-hydroxy-4-oxo-3H-imidazo[4,5-c]pyridin-2-yl]-2-[methyl[2-(methylamino)acetyl]amino]-, 4-carbamate [ACD/Index Name]
Antibiotic 6241B

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.9±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.765
Molar Refractivity: 101.9±0.5 cm3
#H bond acceptors: 15
#H bond donors: 9
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: -5.14
ACD/LogD (pH 5.5): -8.68
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.99
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 220 Å2
Polarizability: 40.4±0.5 10-24cm3
Surface Tension: 82.9±7.0 dyne/cm
Molar Volume: 246.5±7.0 cm3

Click to predict properties on the Chemicalize site


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