ChemSpider 2D Image | 2-{1-[Carbamoyl(hydroxy)amino]ethyl}-1-benzothiophen-6-yl hexopyranosiduronic acid | C17H20N2O9S

2-{1-[Carbamoyl(hydroxy)amino]ethyl}-1-benzothiophen-6-yl hexopyranosiduronic acid

  • Molecular FormulaC17H20N2O9S
  • Average mass428.414 Da
  • Monoisotopic mass428.088959 Da
  • ChemSpider ID95640595

More details:

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

2-{1-[Carbamoyl(hydroxy)amino]ethyl}-1-benzothiophen-6-yl hexopyranosiduronic acid [ACD/IUPAC Name]
2-{1-[Carbamoyl(hydroxy)amino]ethyl}-1-benzothiophen-6-ylhexopyranosiduronsäure [German] [ACD/IUPAC Name]
Acide hexopyranosiduronique de 2-{1-[carbamoyl(hydroxy)amino]éthyl}-1-benzothiophén-6-yle [French] [ACD/IUPAC Name]
Urea, N-[1-[6-(hexopyranuronosyloxy)benzo[b]thien-2-yl]ethyl]-N-hydroxy- [ACD/Index 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: 782.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 119.4±3.0 kJ/mol
Flash Point: 427.1±35.7 °C
Index of Refraction: 1.745
Molar Refractivity: 101.1±0.3 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 0.69
ACD/LogD (pH 5.5): -3.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 211 Å2
Polarizability: 40.1±0.5 10-24cm3
Surface Tension: 107.3±3.0 dyne/cm
Molar Volume: 249.4±3.0 cm3

Click to predict properties on the Chemicalize site


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