ChemSpider 2D Image | 1-[3-({[(5alpha,7alpha)-17-(Cyclopropylmethyl)-3,6-dimethoxy-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-7-yl]methoxy}methyl)phenyl]urea | C33H41N3O5

1-[3-({[(5α,7α)-17-(Cyclopropylmethyl)-3,6-dimethoxy-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-7-yl]methoxy}methyl)phenyl]urea

  • Molecular FormulaC33H41N3O5
  • Average mass559.696 Da
  • Monoisotopic mass559.304626 Da
  • ChemSpider ID76799253

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

1-[3-({[(5α,7α)-17-(Cyclopropylmethyl)-3,6-dimethoxy-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-7-yl]methoxy}methyl)phenyl]harnstoff [German] [ACD/IUPAC Name]
1-[3-({[(5α,7α)-17-(Cyclopropylmethyl)-3,6-dimethoxy-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-7-yl]methoxy}methyl)phenyl]urea [ACD/IUPAC Name]
1-[3-({[(5α,7α)-17-(Cyclopropylméthyl)-3,6-diméthoxy-18,19-dihydro-4,5-époxy-6,14-éthénomorphinane-7-yl]méthoxy}méthyl)phényl]urée [French] [ACD/IUPAC Name]
Urea, N-[3-[[[(5α,7α)-17-(cyclopropylmethyl)-4,5-epoxy-18,19-dihydro-3,6-dimethoxy-6,14-ethenomorphinan-7-yl]methoxy]methyl]phenyl]- [ACD/Index 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: 1.661
Molar Refractivity: 154.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 3.45
ACD/LogD (pH 5.5): 1.59
ACD/BCF (pH 5.5): 2.45
ACD/KOC (pH 5.5): 13.41
ACD/LogD (pH 7.4): 3.29
ACD/BCF (pH 7.4): 125.16
ACD/KOC (pH 7.4): 683.65
Polar Surface Area: 95 Å2
Polarizability: 61.3±0.5 10-24cm3
Surface Tension: 64.8±5.0 dyne/cm
Molar Volume: 418.2±5.0 cm3

Click to predict properties on the Chemicalize site


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