ChemSpider 2D Image | 4-[Methyl(nitroso)amino]-1-(3-pyridinyl)butyl (5xi)-beta-D-lyxo-hexopyranosiduronic acid | C16H23N3O8

4-[Methyl(nitroso)amino]-1-(3-pyridinyl)butyl (5ξ)-β-D-lyxo-hexopyranosiduronic acid

  • Molecular FormulaC16H23N3O8
  • Average mass385.369 Da
  • Monoisotopic mass385.148529 Da
  • ChemSpider ID23977095

  • defined stereocentres - 4 of 6 defined stereocentres

More details:

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

4-[Methyl(nitroso)amino]-1-(3-pyridinyl)butyl (5ξ)-β-D-lyxo-hexopyranosiduronic acid [ACD/IUPAC Name]
4-[Methyl(nitroso)amino]-1-(3-pyridinyl)butyl-(5ξ)-β-D-lyxo-hexopyranosiduronsäure [German] [ACD/IUPAC Name]
Acide (5ξ)-β-D-lyxo-hexopyranosiduronique de 4-[méthyl(nitroso)amino]-1-(3-pyridinyl)butyle [French] [ACD/IUPAC Name]
β-D-lyxo-Hexopyranosiduronic acid, 4-(methylnitrosoamino)-1-(3-pyridinyl)butyl, (5ξ)- [ACD/Index Name]
131119-04-5 [RN]

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


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