ChemSpider 2D Image | Bis(2-methyl-2-propanyl) N-[(5alpha,6beta)-17-(cyclopropylmethyl)-3-hydroxy-14-methoxy-4,5-epoxymorphinan-6-yl]-L-aspartate | C33H48N2O7

Bis(2-methyl-2-propanyl) N-[(5α,6β)-17-(cyclopropylmethyl)-3-hydroxy-14-methoxy-4,5-epoxymorphinan-6-yl]-L-aspartate

  • Molecular FormulaC33H48N2O7
  • Average mass584.743 Da
  • Monoisotopic mass584.346130 Da
  • ChemSpider ID17223755

  • defined stereocentres - 4 of 6 defined stereocentres

More details:

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

Bis(2-methyl-2-propanyl) N-[(5α,6β)-17-(cyclopropylmethyl)-3-hydroxy-14-methoxy-4,5-epoxymorphinan-6-yl]-L-aspartate [ACD/IUPAC Name]
Bis(2-methyl-2-propanyl)-N-[(5α,6β)-17-(cyclopropylmethyl)-3-hydroxy-14-methoxy-4,5-epoxymorphinan-6-yl]-L-aspartat [German] [ACD/IUPAC Name]
L-Aspartic acid, N-[(5α,6β)-17-(cyclopropylmethyl)-4,5-epoxy-3-hydroxy-14-methoxymorphinan-6-yl]-, bis(1,1-dimethylethyl) ester [ACD/Index Name]
N-[(5α,6β)-17-(Cyclopropylméthyl)-3-hydroxy-14-méthoxy-4,5-époxymorphinane-6-yl]-L-aspartate de bis(2-méthyl-2-propanyle) [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: 680.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.4±3.0 kJ/mol
Flash Point: 365.2±31.5 °C
Index of Refraction: 1.590
Molar Refractivity: 157.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 4.78
ACD/LogD (pH 5.5): 3.00
ACD/BCF (pH 5.5): 42.21
ACD/KOC (pH 5.5): 158.92
ACD/LogD (pH 7.4): 4.52
ACD/BCF (pH 7.4): 1407.29
ACD/KOC (pH 7.4): 5298.74
Polar Surface Area: 107 Å2
Polarizability: 62.5±0.5 10-24cm3
Surface Tension: 54.8±5.0 dyne/cm
Molar Volume: 467.2±5.0 cm3

Click to predict properties on the Chemicalize site


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