ChemSpider 2D Image | 2-Deoxy-N-[(3aS,7R,7aS)-4,7-dihydroxy-3a,6,7,7a-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl]-6-O-[hydroxy(imino)methyl]-2-[methyl(N-methylglycyl)amino]-beta-D-glucopyranosylamine | C17H29N7O8

2-Deoxy-N-[(3aS,7R,7aS)-4,7-dihydroxy-3a,6,7,7a-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl]-6-O-[hydroxy(imino)methyl]-2-[methyl(N-methylglycyl)amino]-β-D-glucopyranosylamine

  • Molecular FormulaC17H29N7O8
  • Average mass459.454 Da
  • Monoisotopic mass459.207764 Da
  • ChemSpider ID57260991

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

2-Deoxy-N-[(3aS,7R,7aS)-4,7-dihydroxy-3a,6,7,7a-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl]-6-O-[hydroxy(imino)methyl]-2-[methyl(N-methylglycyl)amino]-β-D-glucopyranosylamine [ACD/IUPAC Name]
2-Desoxy-N-[(3aS,7R,7aS)-4,7-dihydroxy-3a,6,7,7a-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl]-6-O-[hydroxy(imino)methyl]-2-[methyl(N-methylglycyl)amino]-β-D-glucopyranosylamin [German] [ACD/IUPAC Name]
2-Désoxy-N-[(3aS,7R,7aS)-4,7-dihydroxy-3a,6,7,7a-tétrahydro-3H-imidazo[4,5-c]pyridin-2-yl]-6-O-[hydroxy(imino)méthyl]-2-[méthyl(N-méthylglycyl)amino]-β-D-glucopyranosylamine [French] [ACD/IUPAC Name]
β-D-Glucopyranosylamine, 2-deoxy-6-O-(hydroxyiminomethyl)-2-[methyl[2-(methylamino)acetyl]amino]-N-[(3aS,7R,7aS)-3a,6,7,7a-tetrahydro-4,7-dihydroxy-3H-imidazo[4,5-c]pyridin-2-yl]- [ACD/Index Name]
38621-52-2 [RN]
A-269A

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

Density: 1.9±0.1 g/cm3
Boiling Point: 775.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.0 mmHg at 25°C
Enthalpy of Vaporization: 128.6±6.0 kJ/mol
Flash Point: 422.7±35.7 °C
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: -4.48
ACD/LogD (pH 5.5): -8.81
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 225 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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