ChemSpider 2D Image | N-{(1E)-3-[(5-Bromo-2,3-dihydroxyphenyl)sulfanyl]-1-[(E)-(2,2-dihydroxyethylidene)amino]-1-hydroxy-1-propen-2-yl}-5,5-dihydroxy-4-iminopentanamide | C16H20BrN3O8S

N-{(1E)-3-[(5-Bromo-2,3-dihydroxyphenyl)sulfanyl]-1-[(E)-(2,2-dihydroxyethylidene)amino]-1-hydroxy-1-propen-2-yl}-5,5-dihydroxy-4-iminopentanamide

  • Molecular FormulaC16H20BrN3O8S
  • Average mass494.314 Da
  • Monoisotopic mass493.015442 Da
  • ChemSpider ID95569213

  • Double-bond stereo - Double-bond stereo

More details:

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

N-{(1E)-3-[(5-Brom-2,3-dihydroxyphenyl)sulfanyl]-1-[(E)-(2,2-dihydroxyethyliden)amino]-1-hydroxy-1-propen-2-yl}-5,5-dihydroxy-4-iminopentanamid [German] [ACD/IUPAC Name]
N-{(1E)-3-[(5-Bromo-2,3-dihydroxyphenyl)sulfanyl]-1-[(E)-(2,2-dihydroxyethylidene)amino]-1-hydroxy-1-propen-2-yl}-5,5-dihydroxy-4-iminopentanamide [ACD/IUPAC Name]
N-{(1E)-3-[(5-Bromo-2,3-dihydroxyphényl)sulfanyl]-1-[(E)-(2,2-dihydroxyéthylidène)amino]-1-hydroxy-1-propén-2-yl}-5,5-dihydroxy-4-iminopentanamide [French] [ACD/IUPAC Name]
Pentanamide, N-[(E)-1-[[(5-bromo-2,3-dihydroxyphenyl)thio]methyl]-2-[[(1E)-2,2-dihydroxyethylidene]amino]-2-hydroxyethenyl]-5,5-dihydroxy-4-imino- [ACD/Index Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 777.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.7±3.0 kJ/mol
Flash Point: 424.2±32.9 °C
Index of Refraction: 1.686
Molar Refractivity: 103.9±0.5 cm3
#H bond acceptors: 11
#H bond donors: 9
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 1.62
ACD/LogD (pH 5.5): -2.88
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.75
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 232 Å2
Polarizability: 41.2±0.5 10-24cm3
Surface Tension: 74.6±7.0 dyne/cm
Molar Volume: 273.0±7.0 cm3

Click to predict properties on the Chemicalize site


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