ChemSpider 2D Image | (2R,3R)-2-[(Dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl beta-D-erythro-hexopyranosiduronic acid | C17H20Cl2N2O11

(2R,3R)-2-[(Dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl β-D-erythro-hexopyranosiduronic acid

  • Molecular FormulaC17H20Cl2N2O11
  • Average mass499.254 Da
  • Monoisotopic mass498.044403 Da
  • ChemSpider ID111309103

  • defined stereocentres - 5 of 7 defined stereocentres

More details:

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

(2R,3R)-2-[(Dichloracetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl-β-D-erythro-hexopyranosiduronsäure [German] [ACD/IUPAC Name]
(2R,3R)-2-[(Dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl β-D-erythro-hexopyranosiduronic acid [ACD/IUPAC Name]
Acetamide, 2,2-dichloro-N-[(1R,2R)-1-[(β-D-erythro-hexopyranuronosyloxy)methyl]-2-hydroxy-2-(4-nitrophenyl)ethyl]- [ACD/Index Name]
Acide β-D-érythro-hexopyranosiduronique de (2R,3R)-2-[(2,2-dichloroacétyl)amino]-3-hydroxy-3-(4-nitrophényl)propyle [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 897.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 136.7±3.0 kJ/mol
Flash Point: 496.7±34.3 °C
Index of Refraction: 1.651
Molar Refractivity: 106.2±0.4 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: -1.39
ACD/LogD (pH 5.5): -3.84
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.72
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 212 Å2
Polarizability: 42.1±0.5 10-24cm3
Surface Tension: 91.0±5.0 dyne/cm
Molar Volume: 290.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement