ChemSpider 2D Image | 1-[6a,10-Dihydroxy-1,2-bis(4-hydroxybutyl)-4-(methoxyimino)-1,2,4,5,6,6a,11b,11c-octahydrobenzo[kl]xanthen-6-yl]-1-methyl-3-[3-(2-oxo-1-pyrrolidinyl)propyl]urea | C34H50N4O8

1-[6a,10-Dihydroxy-1,2-bis(4-hydroxybutyl)-4-(methoxyimino)-1,2,4,5,6,6a,11b,11c-octahydrobenzo[kl]xanthen-6-yl]-1-methyl-3-[3-(2-oxo-1-pyrrolidinyl)propyl]urea

  • Molecular FormulaC34H50N4O8
  • Average mass642.783 Da
  • Monoisotopic mass642.362854 Da
  • ChemSpider ID2505054

More details:

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

1-[6a,10-Dihydroxy-1,2-bis(4-hydroxybutyl)-4-(methoxyimino)-1,2,4,5,6,6a,11b,11c-octahydrobenzo[kl]xanthen-6-yl]-1-methyl-3-[3-(2-oxo-1-pyrrolidinyl)propyl]harnstoff [German] [ACD/IUPAC Name]
1-[6a,10-Dihydroxy-1,2-bis(4-hydroxybutyl)-4-(methoxyimino)-1,2,4,5,6,6a,11b,11c-octahydrobenzo[kl]xanthen-6-yl]-1-methyl-3-[3-(2-oxo-1-pyrrolidinyl)propyl]urea [ACD/IUPAC Name]
1-[6a,10-Dihydroxy-1,2-bis(4-hydroxybutyl)-4-(méthoxyimino)-1,2,4,5,6,6a,11b,11c-octahydrobenzo[kl]xanthén-6-yl]-1-méthyl-3-[3-(2-oxo-1-pyrrolidinyl)propyl]urée [French] [ACD/IUPAC Name]
Urea, N-methyl-N-[1,2,4,5,6,6a,11b,11c-octahydro-6a,10-dihydroxy-1,2-bis(4-hydroxybutyl)-4-(methoxyimino)benzo[kl]xanthen-6-yl]-N'-[3-(2-oxo-1-pyrrolidinyl)propyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.641
Molar Refractivity: 168.6±0.5 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 2.33
ACD/LogD (pH 5.5): 2.78
ACD/BCF (pH 5.5): 76.32
ACD/KOC (pH 5.5): 774.81
ACD/LogD (pH 7.4): 2.78
ACD/BCF (pH 7.4): 76.18
ACD/KOC (pH 7.4): 773.35
Polar Surface Area: 164 Å2
Polarizability: 66.8±0.5 10-24cm3
Surface Tension: 55.0±7.0 dyne/cm
Molar Volume: 467.4±7.0 cm3

Click to predict properties on the Chemicalize site


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