ChemSpider 2D Image | N-[(E)-3-[(2R,3S,4R,5R)-3,4-dihydroxy-5-(4-oxopyridin-1-yl)oxolan-2-yl]prop-2-enyl]-2,3-dihydroxy-5-nitro-benzamide | C19H19N3O9

N-[(E)-3-[(2R,3S,4R,5R)-3,4-dihydroxy-5-(4-oxopyridin-1-yl)oxolan-2-yl]prop-2-enyl]-2,3-dihydroxy-5-nitro-benzamide

  • Molecular FormulaC19H19N3O9
  • Average mass433.369 Da
  • Monoisotopic mass433.112122 Da
  • ChemSpider ID26328422

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

4(1H)-Pyridinone, 1-[(5E)-5,6,7-trideoxy-7-[(2,3-dihydroxy-5-nitrobenzoyl)amino]-β-D-ribo-hept-5-enofuranosyl]- [ACD/Index Name]
N-[(E)-3-[(2R,3S,4R,5R)-3,4-dihydroxy-5-(4-oxopyridin-1-yl)oxolan-2-yl]prop-2-enyl]-2,3-dihydroxy-5-nitro-benzamide
N-{(2E)-3-[(2R,3S,4R,5R)-3,4-Dihydroxy-5-(4-oxo-1(4H)-pyridinyl)tetrahydro-2-furanyl]-2-propen-1-yl}-2,3-dihydroxy-5-nitrobenzamid [German] [ACD/IUPAC Name]
N-{(2E)-3-[(2R,3S,4R,5R)-3,4-Dihydroxy-5-(4-oxo-1(4H)-pyridinyl)tetrahydro-2-furanyl]-2-propen-1-yl}-2,3-dihydroxy-5-nitrobenzamide [ACD/IUPAC Name]
N-{(2E)-3-[(2R,3S,4R,5R)-3,4-Dihydroxy-5-(4-oxo-1(4H)-pyridinyl)tétrahydro-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, version: 14.00

Density: 1.7±0.1 g/cm3
Boiling Point: 681.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.0±3.0 kJ/mol
Flash Point: 366.0±31.5 °C
Index of Refraction: 1.766
Molar Refractivity: 106.5±0.3 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 1.82
ACD/LogD (pH 5.5): 0.70
ACD/BCF (pH 5.5): 1.70
ACD/KOC (pH 5.5): 41.53
ACD/LogD (pH 7.4): -0.88
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.07
Polar Surface Area: 185 Å2
Polarizability: 42.2±0.5 10-24cm3
Surface Tension: 106.7±3.0 dyne/cm
Molar Volume: 257.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement