ChemSpider 2D Image | Methyl 2,5-anhydro-3,4-dideoxy-6-O-(N-{[4-(methylsulfanyl)-3-nitrophenyl]sulfonyl}glycyl)hexonate | C16H20N2O9S2

Methyl 2,5-anhydro-3,4-dideoxy-6-O-(N-{[4-(methylsulfanyl)-3-nitrophenyl]sulfonyl}glycyl)hexonate

  • Molecular FormulaC16H20N2O9S2
  • Average mass448.468 Da
  • Monoisotopic mass448.061035 Da
  • ChemSpider ID111115566

More details:

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

2,5-Anhydro-3,4-didésoxy-6-O-(N-{[4-(méthylsulfanyl)-3-nitrophényl]sulfonyl}glycyl)hexonate de méthyle [French] [ACD/IUPAC Name]
Hexonic acid, 2,5-anhydro-3,4-dideoxy-6-O-[N-[[4-(methylthio)-3-nitrophenyl]sulfonyl]glycyl]-, methyl ester [ACD/Index Name]
Methyl 2,5-anhydro-3,4-dideoxy-6-O-(N-{[4-(methylsulfanyl)-3-nitrophenyl]sulfonyl}glycyl)hexonate [ACD/IUPAC Name]
Methyl-2,5-anhydro-3,4-didesoxy-6-O-(N-{[4-(methylsulfanyl)-3-nitrophenyl]sulfonyl}glycyl)hexonat [German] [ACD/IUPAC 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: 597.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.0±3.0 kJ/mol
Flash Point: 315.0±32.9 °C
Index of Refraction: 1.601
Molar Refractivity: 102.9±0.4 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 2.09
ACD/LogD (pH 5.5): 1.66
ACD/BCF (pH 5.5): 10.67
ACD/KOC (pH 5.5): 189.21
ACD/LogD (pH 7.4): 1.51
ACD/BCF (pH 7.4): 7.69
ACD/KOC (pH 7.4): 136.41
Polar Surface Area: 188 Å2
Polarizability: 40.8±0.5 10-24cm3
Surface Tension: 66.5±5.0 dyne/cm
Molar Volume: 300.3±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement