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

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

  • Molecular FormulaC17H29N7O8
  • Average mass459.454 Da
  • Monoisotopic mass459.207764 Da
  • ChemSpider ID59701259

  • 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-2-[glycyl(methyl)amino]-N-[(3aR,7R,7aS)-7-hydroxy-5-methyl-4-oxo-3a,4,5,6,7,7a-hexahydro-1H-imidazo[4,5-c]pyridin-2-yl]-β-D-gulopyranosylamine [ACD/IUPAC Name]
4-O-Carbamoyl-2-deoxy-2-[glycyl(methyl)amino]-N-[(3aR,7R,7aS)-7-hydroxy-5-methyl-4-oxo-3a,4,5,6,7,7a-hexahydro-3H-imidazo[4,5-c]pyridin-2-yl]-β-D-gulopyranosylamine [ACD/IUPAC Name]
4-O-Carbamoyl-2-desoxy-2-[glycyl(methyl)amino]-N-[(3aR,7R,7aS)-7-hydroxy-5-methyl-4-oxo-3a,4,5,6,7,7a-hexahydro-1H-imidazo[4,5-c]pyridin-2-yl]-β-D-gulopyranosylamin [German] [ACD/IUPAC Name]
4-O-Carbamoyl-2-désoxy-2-[glycyl(méthyl)amino]-N-[(3aR,7R,7aS)-7-hydroxy-5-méthyl-4-oxo-3a,4,5,6,7,7a-hexahydro-1H-imidazo[4,5-c]pyridin-2-yl]-β-D-gulopyranosylamine [French] [ACD/IUPAC Name]
4-O-Carbamoyl-2-desoxy-2-[glycyl(methyl)amino]-N-[(3aR,7R,7aS)-7-hydroxy-5-methyl-4-oxo-3a,4,5,6,7,7a-hexahydro-3H-imidazo[4,5-c]pyridin-2-yl]-β-D-gulopyranosylamin [German] [ACD/IUPAC Name]
4-O-Carbamoyl-2-désoxy-2-[glycyl(méthyl)amino]-N-[(3aR,7R,7aS)-7-hydroxy-5-méthyl-4-oxo-3a,4,5,6,7,7a-hexahydro-3H-imidazo[4,5-c]pyridin-2-yl]-β-D-gulopyranosylamine [French] [ACD/IUPAC Name]
β-D-Gulopyranosylamine, 2-[(2-aminoacetyl)methylamino]-2-deoxy-N-[(3aR,7R,7aS)-3a,4,5,6,7,7a-hexahydro-7-hydroxy-5-methyl-4-oxo-1H-imidazo[4,5-c]pyridin-2-yl]-, 4-carbamate [ACD/Index Name]
β-D-Gulopyranosylamine, 2-[(2-aminoacetyl)methylamino]-2-deoxy-N-[(3aR,7R,7aS)-3a,4,5,6,7,7a-hexahydro-7-hydroxy-5-methyl-4-oxo-3H-imidazo[4,5-c]pyridin-2-yl]-, 4-carbamate [ACD/Index Name]
Glycinothricin

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

Density: 1.9±0.1 g/cm3
Boiling Point: 844.3±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 139.5±6.0 kJ/mol
Flash Point: 464.4±37.1 °C
Index of Refraction: 1.770
Molar Refractivity: 101.7±0.5 cm3
#H bond acceptors: 15
#H bond donors: 9
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -4.15
ACD/LogD (pH 5.5): -7.90
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.89
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 225 Å2
Polarizability: 40.3±0.5 10-24cm3
Surface Tension: 86.2±7.0 dyne/cm
Molar Volume: 244.7±7.0 cm3

Click to predict properties on the Chemicalize site


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