ChemSpider 2D Image | 6a-(Allyloxy)-6-[(ethoxycarbonyl)(1-naphthylmethyl)amino]-1,2-bis(4-hydroxybutyl)-4-(methoxyimino)-1,2,4,5,6,6a,11b,11c-octahydrobenzo[kl]xanthen-10-yl ethylcarbamate | C45H57N3O9

6a-(Allyloxy)-6-[(ethoxycarbonyl)(1-naphthylmethyl)amino]-1,2-bis(4-hydroxybutyl)-4-(methoxyimino)-1,2,4,5,6,6a,11b,11c-octahydrobenzo[kl]xanthen-10-yl ethylcarbamate

  • Molecular FormulaC45H57N3O9
  • Average mass783.949 Da
  • Monoisotopic mass783.409485 Da
  • ChemSpider ID3498306

More details:

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

6a-(Allyloxy)-6-[(ethoxycarbonyl)(1-naphthylmethyl)amino]-1,2-bis(4-hydroxybutyl)-4-(methoxyimino)-1,2,4,5,6,6a,11b,11c-octahydrobenzo[kl]xanthen-10-yl ethylcarbamate [ACD/IUPAC Name]
6a-(Allyloxy)-6-[(ethoxycarbonyl)(1-naphthylmethyl)amino]-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]
Éthylcarbamate de 6a-(allyloxy)-6-[(éthoxycarbonyl)(1-naphtylméthyl)amino]-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: 1.601
Molar Refractivity: 214.9±0.5 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 3
ACD/LogP: 8.64
ACD/LogD (pH 5.5): 8.26
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 740597.38
ACD/LogD (pH 7.4): 8.26
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 740591.69
Polar Surface Area: 148 Å2
Polarizability: 85.2±0.5 10-24cm3
Surface Tension: 46.7±7.0 dyne/cm
Molar Volume: 627.4±7.0 cm3

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