ChemSpider 2D Image | Ethyl [6a-(allyloxy)-10-[2-(1-aziridinyl)ethoxy]-1,2-bis(4-hydroxybutyl)-4-{[(4-nitrobenzyl)oxy]imino}-1,2,4,5,6,6a,11b,11c-octahydrobenzo[kl]xanthen-6-yl]propylcarbamate | C44H60N4O10

Ethyl [6a-(allyloxy)-10-[2-(1-aziridinyl)ethoxy]-1,2-bis(4-hydroxybutyl)-4-{[(4-nitrobenzyl)oxy]imino}-1,2,4,5,6,6a,11b,11c-octahydrobenzo[kl]xanthen-6-yl]propylcarbamate

  • Molecular FormulaC44H60N4O10
  • Average mass804.968 Da
  • Monoisotopic mass804.430969 Da
  • ChemSpider ID3259946

More details:

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

[6a-(Allyloxy)-10-[2-(1-aziridinyl)éthoxy]-1,2-bis(4-hydroxybutyl)-4-{[(4-nitrobenzyl)oxy]imino}-1,2,4,5,6,6a,11b,11c-octahydrobenzo[kl]xanthén-6-yl]propylcarbamate d'éthyle [French] [ACD/IUPAC Name]
Carbamic acid, N-[10-[2-(1-aziridinyl)ethoxy]-1,2,4,5,6,6a,11b,11c-octahydro-1,2-bis(4-hydroxybutyl)-4-[[(4-nitrophenyl)methoxy]imino]-6a-(2-propen-1-yloxy)benzo[kl]xanthen-6-yl]-N-propyl-, ethyl este r [ACD/Index Name]
Ethyl [6a-(allyloxy)-10-[2-(1-aziridinyl)ethoxy]-1,2-bis(4-hydroxybutyl)-4-{[(4-nitrobenzyl)oxy]imino}-1,2,4,5,6,6a,11b,11c-octahydrobenzo[kl]xanthen-6-yl]propylcarbamate [ACD/IUPAC Name]
Ethyl-[6a-(allyloxy)-10-[2-(1-aziridinyl)ethoxy]-1,2-bis(4-hydroxybutyl)-4-{[(4-nitrobenzyl)oxy]imino}-1,2,4,5,6,6a,11b,11c-octahydrobenzo[kl]xanthen-6-yl]propylcarbamat [German] [ACD/IUPAC 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: 874.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 133.2±3.0 kJ/mol
Flash Point: 482.9±37.1 °C
Index of Refraction: 1.607
Molar Refractivity: 216.1±0.5 cm3
#H bond acceptors: 14
#H bond donors: 2
#Freely Rotating Bonds: 24
#Rule of 5 Violations: 3
ACD/LogP: 7.76
ACD/LogD (pH 5.5): 5.76
ACD/BCF (pH 5.5): 6836.25
ACD/KOC (pH 5.5): 8183.06
ACD/LogD (pH 7.4): 6.98
ACD/BCF (pH 7.4): 112767.17
ACD/KOC (pH 7.4): 134983.44
Polar Surface Area: 168 Å2
Polarizability: 85.7±0.5 10-24cm3
Surface Tension: 49.7±7.0 dyne/cm
Molar Volume: 626.2±7.0 cm3

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