ChemSpider 2D Image | Ethyl [6a-(allyloxy)-10-hydroxy-1,2-bis(4-hydroxybutyl)-4-(methoxyimino)-1,2,4,5,6,6a,11b,11c-octahydrobenzo[kl]xanthen-6-yl]methylcarbamate | C32H46N2O8

Ethyl [6a-(allyloxy)-10-hydroxy-1,2-bis(4-hydroxybutyl)-4-(methoxyimino)-1,2,4,5,6,6a,11b,11c-octahydrobenzo[kl]xanthen-6-yl]methylcarbamate

  • Molecular FormulaC32H46N2O8
  • Average mass586.716 Da
  • Monoisotopic mass586.325439 Da
  • ChemSpider ID4409001

More details:

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

[6a-(Allyloxy)-10-hydroxy-1,2-bis(4-hydroxybutyl)-4-(méthoxyimino)-1,2,4,5,6,6a,11b,11c-octahydrobenzo[kl]xanthén-6-yl]méthylcarbamate d'éthyle [French] [ACD/IUPAC Name]
Carbamic acid, N-methyl-N-[1,2,4,5,6,6a,11b,11c-octahydro-10-hydroxy-1,2-bis(4-hydroxybutyl)-4-(methoxyimino)-6a-(2-propen-1-yloxy)benzo[kl]xanthen-6-yl]-, ethyl ester [ACD/Index Name]
Ethyl [6a-(allyloxy)-10-hydroxy-1,2-bis(4-hydroxybutyl)-4-(methoxyimino)-1,2,4,5,6,6a,11b,11c-octahydrobenzo[kl]xanthen-6-yl]methylcarbamate [ACD/IUPAC Name]
Ethyl-[6a-(allyloxy)-10-hydroxy-1,2-bis(4-hydroxybutyl)-4-(methoxyimino)-1,2,4,5,6,6a,11b,11c-octahydrobenzo[kl]xanthen-6-yl]methylcarbamat [German] [ACD/IUPAC Name]
5199-04-2 [RN]
AGN-PC-0LP0HQ

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

Density: 1.3±0.1 g/cm3
Boiling Point: 711.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.3±3.0 kJ/mol
Flash Point: 384.2±35.7 °C
Index of Refraction: 1.584
Molar Refractivity: 155.6±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 5.08
ACD/LogD (pH 5.5): 5.16
ACD/BCF (pH 5.5): 4945.32
ACD/KOC (pH 5.5): 15342.46
ACD/LogD (pH 7.4): 5.16
ACD/BCF (pH 7.4): 4937.48
ACD/KOC (pH 7.4): 15318.14
Polar Surface Area: 130 Å2
Polarizability: 61.7±0.5 10-24cm3
Surface Tension: 45.6±7.0 dyne/cm
Molar Volume: 465.2±7.0 cm3

Click to predict properties on the Chemicalize site


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