ChemSpider 2D Image | Methyl 5'-({(1E)-1-[(hexyloxy)imino]-3-hydroxy-2-propanyl}carbamoyl)-7,7'-dimethoxy-4,4'-bi-1,3-benzodioxole-5-carboxylate | C28H34N2O11

Methyl 5'-({(1E)-1-[(hexyloxy)imino]-3-hydroxy-2-propanyl}carbamoyl)-7,7'-dimethoxy-4,4'-bi-1,3-benzodioxole-5-carboxylate

  • Molecular FormulaC28H34N2O11
  • Average mass574.576 Da
  • Monoisotopic mass574.216248 Da
  • ChemSpider ID9832404

  • Double-bond stereo - Double-bond stereo

More details:

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

[4,4'-Bi-1,3-benzodioxole]-5-carboxylic acid, 5'-[[[(2E)-2-[(hexyloxy)imino]-1-(hydroxymethyl)ethyl]amino]carbonyl]-7,7'-dimethoxy-, methyl ester [ACD/Index Name]
5'-({(1E)-1-[(Hexyloxy)imino]-3-hydroxy-2-propanyl}carbamoyl)-7,7'-diméthoxy-4,4'-bi-1,3-benzodioxole-5-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 5'-({(1E)-1-[(hexyloxy)imino]-3-hydroxy-2-propanyl}carbamoyl)-7,7'-dimethoxy-4,4'-bi-1,3-benzodioxole-5-carboxylate [ACD/IUPAC Name]
Methyl-5'-({(1E)-1-[(hexyloxy)imino]-3-hydroxy-2-propanyl}carbamoyl)-7,7'-dimethoxy-4,4'-bi-1,3-benzodioxol-5-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.586
Molar Refractivity: 140.4±0.5 cm3
#H bond acceptors: 13
#H bond donors: 2
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 3.18
ACD/LogD (pH 5.5): 3.05
ACD/BCF (pH 5.5): 122.85
ACD/KOC (pH 5.5): 1089.40
ACD/LogD (pH 7.4): 3.05
ACD/BCF (pH 7.4): 122.85
ACD/KOC (pH 7.4): 1089.37
Polar Surface Area: 153 Å2
Polarizability: 55.7±0.5 10-24cm3
Surface Tension: 47.2±7.0 dyne/cm
Molar Volume: 418.2±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement