ChemSpider 2D Image | 6-({1-Hydroxy-5-[(2-methyl-2-propanyl)oxy]-5-oxo-2-pentanyl}carbamoyl)-2,2-diphenyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl 2-[3-(hexopyranosyloxy)-1-propen-1-yl]benzoate | C45H53NO14

6-({1-Hydroxy-5-[(2-methyl-2-propanyl)oxy]-5-oxo-2-pentanyl}carbamoyl)-2,2-diphenyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl 2-[3-(hexopyranosyloxy)-1-propen-1-yl]benzoate

  • Molecular FormulaC45H53NO14
  • Average mass831.901 Da
  • Monoisotopic mass831.346619 Da
  • ChemSpider ID3385298

More details:

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

2-[3-(Hexopyranosyloxy)-1-propén-1-yl]benzoate de 6-({1-hydroxy-5-[(2-méthyl-2-propanyl)oxy]-5-oxo-2-pentanyl}carbamoyl)-2,2-diphényl-3a,4,5,7a-tétrahydro-1,3-benzodioxol-4-yle [French] [ACD/IUPAC Name]
6-({1-Hydroxy-5-[(2-methyl-2-propanyl)oxy]-5-oxo-2-pentanyl}carbamoyl)-2,2-diphenyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl 2-[3-(hexopyranosyloxy)-1-propen-1-yl]benzoate [ACD/IUPAC Name]
6-({1-Hydroxy-5-[(2-methyl-2-propanyl)oxy]-5-oxo-2-pentanyl}carbamoyl)-2,2-diphenyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl-2-[3-(hexopyranosyloxy)-1-propen-1-yl]benzoat [German] [ACD/IUPAC Name]
Benzoic acid, 2-[3-(hexopyranosyloxy)-1-propen-1-yl]-, 6-[[[4-(1,1-dimethylethoxy)-1-(hydroxymethyl)-4-oxobutyl]amino]carbonyl]-3a,4,5,7a-tetrahydro-2,2-diphenyl-1,3-benzodioxol-4-yl ester [ACD/Index 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: 1012.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 154.8±3.0 kJ/mol
Flash Point: 566.1±34.3 °C
Index of Refraction: 1.641
Molar Refractivity: 216.6±0.4 cm3
#H bond acceptors: 15
#H bond donors: 6
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: 4.79
ACD/LogD (pH 5.5): 3.58
ACD/BCF (pH 5.5): 308.49
ACD/KOC (pH 5.5): 2105.74
ACD/LogD (pH 7.4): 3.58
ACD/BCF (pH 7.4): 308.49
ACD/KOC (pH 7.4): 2105.72
Polar Surface Area: 220 Å2
Polarizability: 85.9±0.5 10-24cm3
Surface Tension: 70.5±5.0 dyne/cm
Molar Volume: 600.3±5.0 cm3

Click to predict properties on the Chemicalize site


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