ChemSpider 2D Image | 2,2-Dimethoxyethyl (2Z)-2-{[(benzyloxy)carbonyl]amino}-3-[6-(benzyloxy)-7-methyl-1,3-benzodioxol-5-yl]acrylate | C30H31NO9

2,2-Dimethoxyethyl (2Z)-2-{[(benzyloxy)carbonyl]amino}-3-[6-(benzyloxy)-7-methyl-1,3-benzodioxol-5-yl]acrylate

  • Molecular FormulaC30H31NO9
  • Average mass549.568 Da
  • Monoisotopic mass549.199890 Da
  • ChemSpider ID9115825

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-2-{[(Benzyloxy)carbonyl]amino}-3-[6-(benzyloxy)-7-méthyl-1,3-benzodioxol-5-yl]acrylate de 2,2-diméthoxyéthyle [French] [ACD/IUPAC Name]
2,2-Dimethoxyethyl (2Z)-2-{[(benzyloxy)carbonyl]amino}-3-[6-(benzyloxy)-7-methyl-1,3-benzodioxol-5-yl]acrylate [ACD/IUPAC Name]
2,2-Dimethoxyethyl-(2Z)-2-{[(benzyloxy)carbonyl]amino}-3-[6-(benzyloxy)-7-methyl-1,3-benzodioxol-5-yl]acrylat [German] [ACD/IUPAC Name]
2-Propenoic acid, 3-[7-methyl-6-(phenylmethoxy)-1,3-benzodioxol-5-yl]-2-[[(phenylmethoxy)carbonyl]amino]-, 2,2-dimethoxyethyl ester, (2Z)- [ACD/Index 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: 677.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.4±3.0 kJ/mol
Flash Point: 363.5±31.5 °C
Index of Refraction: 1.598
Molar Refractivity: 147.0±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 6.53
ACD/LogD (pH 5.5): 5.34
ACD/BCF (pH 5.5): 6724.40
ACD/KOC (pH 5.5): 19109.17
ACD/LogD (pH 7.4): 5.29
ACD/BCF (pH 7.4): 6021.41
ACD/KOC (pH 7.4): 17111.41
Polar Surface Area: 111 Å2
Polarizability: 58.3±0.5 10-24cm3
Surface Tension: 51.3±3.0 dyne/cm
Molar Volume: 431.0±3.0 cm3

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