ChemSpider 2D Image | N-[(E)-3-[(2R,3S,4S)-3,4-dihydroxyoxolan-2-yl]prop-2-enyl]-2,3-dihydroxy-5-nitro-benzamide | C14H16N2O8

N-[(E)-3-[(2R,3S,4S)-3,4-dihydroxyoxolan-2-yl]prop-2-enyl]-2,3-dihydroxy-5-nitro-benzamide

  • Molecular FormulaC14H16N2O8
  • Average mass340.285 Da
  • Monoisotopic mass340.090668 Da
  • ChemSpider ID26328419
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres


More details:






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

D-ribo-Hept-5-enitol, 1,4-anhydro-5,6,7-trideoxy-7-[(2,3-dihydroxy-5-nitrobenzoyl)amino]-, (5E)- [ACD/Index Name]
N-[(E)-3-[(2R,3S,4S)-3,4-dihydroxyoxolan-2-yl]prop-2-enyl]-2,3-dihydroxy-5-nitro-benzamide
N-{(2E)-3-[(2R,3S,4S)-3,4-Dihydroxytetrahydro-2-furanyl]-2-propen-1-yl}-2,3-dihydroxy-5-nitrobenzamid [German] [ACD/IUPAC Name]
N-{(2E)-3-[(2R,3S,4S)-3,4-Dihydroxytetrahydro-2-furanyl]-2-propen-1-yl}-2,3-dihydroxy-5-nitrobenzamide [ACD/IUPAC Name]
N-{(2E)-3-[(2R,3S,4S)-3,4-Dihydroxytétrahydro-2-furanyl]-2-propén-1-yl}-2,3-dihydroxy-5-nitrobenzamide [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point: 575.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.6±3.0 kJ/mol
Flash Point: 301.5±30.1 °C
Index of Refraction: 1.747
Molar Refractivity: 82.5±0.3 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 1.24
ACD/LogD (pH 5.5): 0.47
ACD/BCF (pH 5.5): 1.12
ACD/KOC (pH 5.5): 30.84
ACD/LogD (pH 7.4): -1.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 165 Å2
Polarizability: 32.7±0.5 10-24cm3
Surface Tension: 89.7±3.0 dyne/cm
Molar Volume: 203.1±3.0 cm3

Click to predict properties on the Chemicalize site






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