ChemSpider 2D Image | 4-[(~2~H_3_)Methyl(nitroso)amino]-1-(3-pyridinyl)butyl beta-D-glucopyranosiduronic acid | C16H20D3N3O8

4-[(2H3)Methyl(nitroso)amino]-1-(3-pyridinyl)butyl β-D-glucopyranosiduronic acid

  • Molecular FormulaC16H20D3N3O8
  • Average mass388.388 Da
  • Monoisotopic mass388.167358 Da
  • ChemSpider ID107443051

  • defined stereocentres - 5 of 6 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

4-[(2H3)Methyl(nitroso)amino]-1-(3-pyridinyl)butyl β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
4-[(2H3)Methyl(nitroso)amino]-1-(3-pyridinyl)butyl-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
Acide β-D-glucopyranosiduronique de 4-[(2H3)méthyl(nitroso)amino]-1-(3-pyridinyl)butyle [French] [ACD/IUPAC Name]
β-D-Glucopyranosiduronic acid, 4-(methyl-d3nitrosoamino)-1-(3-pyridinyl)butyl [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 724.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.0±3.0 kJ/mol
Flash Point: 391.8±32.9 °C
Index of Refraction: 1.633
Molar Refractivity: 89.0±0.5 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: -2.57
ACD/LogD (pH 5.5): -4.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 162 Å2
Polarizability: 35.3±0.5 10-24cm3
Surface Tension: 62.7±7.0 dyne/cm
Molar Volume: 249.1±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement