ChemSpider 2D Image | (2R,3S,4R,5S,6S,7E)-4,5-Diacetoxy-7-(dimethylhydrazono)-6-(nitromethyl)-1,2,3-heptanetriyl triacetate | C20H31N3O12

(2R,3S,4R,5S,6S,7E)-4,5-Diacetoxy-7-(dimethylhydrazono)-6-(nitromethyl)-1,2,3-heptanetriyl triacetate

  • Molecular FormulaC20H31N3O12
  • Average mass505.473 Da
  • Monoisotopic mass505.190765 Da
  • ChemSpider ID9039369

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2R,3S,4R,5S,6S,7E)-4,5-Diacetoxy-7-(dimethylhydrazono)-6-(nitromethyl)-1,2,3-heptanetriyl triacetate [ACD/IUPAC Name]
(2R,3S,4R,5S,6S,7E)-4,5-Diacetoxy-7-(dimethylhydrazono)-6-(nitromethyl)-1,2,3-heptantriyl-triacetat [German] [ACD/IUPAC Name]
Triacétate de (2R,3S,4R,5S,6S,7E)-4,5-diacétoxy-7-(diméthylhydrazono)-6-(nitrométhyl)-1,2,3-heptanetriyle [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 562.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.6±3.0 kJ/mol
Flash Point: 294.2±32.9 °C
Index of Refraction: 1.517
Molar Refractivity: 117.3±0.5 cm3
#H bond acceptors: 15
#H bond donors: 0
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 2
ACD/LogP: 1.86
ACD/LogD (pH 5.5): 1.96
ACD/BCF (pH 5.5): 18.19
ACD/KOC (pH 5.5): 277.48
ACD/LogD (pH 7.4): 1.96
ACD/BCF (pH 7.4): 18.09
ACD/KOC (pH 7.4): 276.06
Polar Surface Area: 193 Å2
Polarizability: 46.5±0.5 10-24cm3
Surface Tension: 43.8±7.0 dyne/cm
Molar Volume: 387.8±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement