ChemSpider 2D Image | 6-{[(4-Acetamidophenyl)sulfonyl](methyl)amino}-6a-(allyloxy)-1,2-bis(4-hydroxybutyl)-4-(methoxyimino)-1,2,4,5,6,6a,11b,11c-octahydrobenzo[kl]xanthen-10-yl ethylcarbamate | C40H54N4O10S

6-{[(4-Acetamidophenyl)sulfonyl](methyl)amino}-6a-(allyloxy)-1,2-bis(4-hydroxybutyl)-4-(methoxyimino)-1,2,4,5,6,6a,11b,11c-octahydrobenzo[kl]xanthen-10-yl ethylcarbamate

  • Molecular FormulaC40H54N4O10S
  • Average mass782.943 Da
  • Monoisotopic mass782.356079 Da
  • ChemSpider ID2743385

More details:

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

6-{[(4-Acetamidophenyl)sulfonyl](methyl)amino}-6a-(allyloxy)-1,2-bis(4-hydroxybutyl)-4-(methoxyimino)-1,2,4,5,6,6a,11b,11c-octahydrobenzo[kl]xanthen-10-yl ethylcarbamate [ACD/IUPAC Name]
6-{[(4-Acetamidophenyl)sulfonyl](methyl)amino}-6a-(allyloxy)-1,2-bis(4-hydroxybutyl)-4-(methoxyimino)-1,2,4,5,6,6a,11b,11c-octahydrobenzo[kl]xanthen-10-yl-ethylcarbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-ethyl-, 6-[[[4-(acetylamino)phenyl]sulfonyl]methylamino]-1,2,4,5,6,6a,11b,11c-octahydro-1,2-bis(4-hydroxybutyl)-4-(methoxyimino)-6a-(2-propen-1-yloxy)benzo[kl]xanthen-10-yl ester [ACD/Index Name]
Éthylcarbamate de 6-{[(4-acétamidophényl)sulfonyl](méthyl)amino}-6a-(allyloxy)-1,2-bis(4-hydroxybutyl)-4-(méthoxyimino)-1,2,4,5,6,6a,11b,11c-octahydrobenzo[kl]xanthén-10-yle [French] [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.610
Molar Refractivity: 205.6±0.5 cm3
#H bond acceptors: 14
#H bond donors: 4
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 3
ACD/LogP: 5.89
ACD/LogD (pH 5.5): 5.61
ACD/BCF (pH 5.5): 10787.95
ACD/KOC (pH 5.5): 26814.34
ACD/LogD (pH 7.4): 5.61
ACD/BCF (pH 7.4): 10787.87
ACD/KOC (pH 7.4): 26814.13
Polar Surface Area: 194 Å2
Polarizability: 81.5±0.5 10-24cm3
Surface Tension: 49.8±7.0 dyne/cm
Molar Volume: 593.3±7.0 cm3

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