ChemSpider 2D Image | 2-(2,5-dimethoxy-4-(3-oxobutanamido)phenylsulfonyl)ethyl hydrogen sulfate | C14H19NO10S2

2-(2,5-dimethoxy-4-(3-oxobutanamido)phenylsulfonyl)ethyl hydrogen sulfate

  • Molecular FormulaC14H19NO10S2
  • Average mass425.431 Da
  • Monoisotopic mass425.045044 Da
  • ChemSpider ID28676514

More details:

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

116390-88-6 [RN]
2-(2,5-dimethoxy-4-(3-oxobutanamido)phenylsulfonyl)ethyl hydrogen sulfate
2-{[4-(Acetoacetylamino)-2,5-dimethoxyphenyl]sulfonyl}ethyl hydrogen sulfate [ACD/IUPAC Name]
2-{[4-(Acetoacetylamino)-2,5-dimethoxyphenyl]sulfonyl}ethylhydrogensulfat [German] [ACD/IUPAC Name]
Butanamide, N-[2,5-dimethoxy-4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]-3-oxo- [ACD/Index Name]
Hydrogénosulfate de 2-{[4-(acetoacetylamino)-2,5-diméthoxyphényl]sulfonyl}éthyle [French] [ACD/IUPAC Name]
2-((2,5-Dimethoxy-4-(3-oxobutanamido)phenyl)sulfonyl)ethyl hydrogen sulfate
2-[2,5-Dimethoxy-4-(3-oxobutanamido)benzene-1-sulfonyl]ethyl hydrogen sulfate

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.562
Molar Refractivity: 92.1±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 0.53
ACD/LogD (pH 5.5): -4.33
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.33
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 179 Å2
Polarizability: 36.5±0.5 10-24cm3
Surface Tension: 61.5±3.0 dyne/cm
Molar Volume: 283.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement