ChemSpider 2D Image | 4-(1,3-Benzodioxol-5-yl)-2-(4-methoxyphenyl)-5-oxo-3-(3,4,5-trimethoxybenzyl)-2,5-dihydro-2-furanyl methylcarbamate | C30H29NO10

4-(1,3-Benzodioxol-5-yl)-2-(4-methoxyphenyl)-5-oxo-3-(3,4,5-trimethoxybenzyl)-2,5-dihydro-2-furanyl methylcarbamate

  • Molecular FormulaC30H29NO10
  • Average mass563.552 Da
  • Monoisotopic mass563.179138 Da
  • ChemSpider ID23188537

More details:

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

2(5H)-Furanone, 3-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-5-[[(methylamino)carbonyl]oxy]-4-[(3,4,5-trimethoxyphenyl)methyl]- [ACD/Index Name]
4-(1,3-Benzodioxol-5-yl)-2-(4-methoxyphenyl)-5-oxo-3-(3,4,5-trimethoxybenzyl)-2,5-dihydro-2-furanyl methylcarbamate [ACD/IUPAC Name]
4-(1,3-Benzodioxol-5-yl)-2-(4-methoxyphenyl)-5-oxo-3-(3,4,5-trimethoxybenzyl)-2,5-dihydro-2-furanyl-methylcarbamat [German] [ACD/IUPAC Name]
4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-5-oxo-3-(3,4,5-trimethoxybenzyl)-2,5-dihydrofuran-2-yl methylcarbamate
Méthylcarbamate de 4-(1,3-benzodioxol-5-yl)-2-(4-méthoxyphényl)-5-oxo-3-(3,4,5-triméthoxybenzyl)-2,5-dihydro-2-furanyle [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL320183/
Methyl-carbamic acid 4-benzo[1,3]dioxol-5-yl-2-(4-methoxy-phenyl)-5-oxo-3-(3,4,5-trimethoxy-benzyl)-2,5-dihydro-furan-2-yl ester

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

Density: 1.4±0.1 g/cm3
Boiling Point: 756.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.2±3.0 kJ/mol
Flash Point: 411.4±32.9 °C
Index of Refraction: 1.631
Molar Refractivity: 144.9±0.4 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 3.92
ACD/LogD (pH 5.5): 3.52
ACD/BCF (pH 5.5): 277.62
ACD/KOC (pH 5.5): 1952.67
ACD/LogD (pH 7.4): 3.52
ACD/BCF (pH 7.4): 277.60
ACD/KOC (pH 7.4): 1952.49
Polar Surface Area: 120 Å2
Polarizability: 57.4±0.5 10-24cm3
Surface Tension: 61.8±5.0 dyne/cm
Molar Volume: 406.7±5.0 cm3

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