ChemSpider 2D Image | Benzyl [6a-(allyloxy)-10-hydroxy-1,2-bis(4-hydroxybutyl)-4-{[(2-methyl-2-propanyl)oxy]imino}-1,2,4,5,6,6a,11b,11c-octahydrobenzo[kl]xanthen-6-yl]propylcarbamate | C42H58N2O8

Benzyl [6a-(allyloxy)-10-hydroxy-1,2-bis(4-hydroxybutyl)-4-{[(2-methyl-2-propanyl)oxy]imino}-1,2,4,5,6,6a,11b,11c-octahydrobenzo[kl]xanthen-6-yl]propylcarbamate

  • Molecular FormulaC42H58N2O8
  • Average mass718.919 Da
  • Monoisotopic mass718.419312 Da
  • ChemSpider ID2813232

More details:

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

[6a-(Allyloxy)-10-hydroxy-1,2-bis(4-hydroxybutyl)-4-{[(2-méthyl-2-propanyl)oxy]imino}-1,2,4,5,6,6a,11b,11c-octahydrobenzo[kl]xanthén-6-yl]propylcarbamate de benzyle [French] [ACD/IUPAC Name]
Benzyl [6a-(allyloxy)-10-hydroxy-1,2-bis(4-hydroxybutyl)-4-{[(2-methyl-2-propanyl)oxy]imino}-1,2,4,5,6,6a,11b,11c-octahydrobenzo[kl]xanthen-6-yl]propylcarbamate [ACD/IUPAC Name]
Benzyl-[6a-(allyloxy)-10-hydroxy-1,2-bis(4-hydroxybutyl)-4-{[(2-methyl-2-propanyl)oxy]imino}-1,2,4,5,6,6a,11b,11c-octahydrobenzo[kl]xanthen-6-yl]propylcarbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[4-[(1,1-dimethylethoxy)imino]-1,2,4,5,6,6a,11b,11c-octahydro-10-hydroxy-1,2-bis(4-hydroxybutyl)-6a-(2-propen-1-yloxy)benzo[kl]xanthen-6-yl]-N-propyl-, phenylmethyl ester [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 804.9±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.7±3.0 kJ/mol
Flash Point: 440.6±37.1 °C
Index of Refraction: 1.578
Molar Refractivity: 199.5±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 3
ACD/LogP: 8.68
ACD/LogD (pH 5.5): 8.28
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 760963.56
ACD/LogD (pH 7.4): 8.28
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 759755.56
Polar Surface Area: 130 Å2
Polarizability: 79.1±0.5 10-24cm3
Surface Tension: 43.9±7.0 dyne/cm
Molar Volume: 601.3±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement