ChemSpider 2D Image | 5-Acetamido-1,4-anhydro-2-{bis[4-(methylsulfonyl)benzyl]amino}-2,5-dideoxy-D-arabinitol | C23H30N2O7S2

5-Acetamido-1,4-anhydro-2-{bis[4-(methylsulfonyl)benzyl]amino}-2,5-dideoxy-D-arabinitol

  • Molecular FormulaC23H30N2O7S2
  • Average mass510.624 Da
  • Monoisotopic mass510.149445 Da
  • ChemSpider ID29858342

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

5-Acetamido-1,4-anhydro-2-{bis[4-(methylsulfonyl)benzyl]amino}-2,5-dideoxy-D-arabinitol [ACD/IUPAC Name]
5-Acetamido-1,4-anhydro-2-{bis[4-(methylsulfonyl)benzyl]amino}-2,5-didesoxy-D-arabinitol [German] [ACD/IUPAC Name]
5-Acétamido-1,4-anhydro-2-{bis[4-(méthylsulfonyl)benzyl]amino}-2,5-didésoxy-D-arabinitol [French] [ACD/IUPAC Name]
D-Arabinitol, 5-(acetylamino)-1,4-anhydro-2-[bis[[4-(methylsulfonyl)phenyl]methyl]amino]-2,5-dideoxy- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 803.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.4±3.0 kJ/mol
Flash Point: 439.5±34.3 °C
Index of Refraction: 1.626
Molar Refractivity: 128.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: -1.18
ACD/LogD (pH 5.5): -0.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 16.23
ACD/LogD (pH 7.4): -0.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 19.81
Polar Surface Area: 147 Å2
Polarizability: 51.1±0.5 10-24cm3
Surface Tension: 65.4±5.0 dyne/cm
Molar Volume: 364.1±5.0 cm3

Click to predict properties on the Chemicalize site


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