ChemSpider 2D Image | (3E,8xi,9xi,14xi)-3-{(2E)-[(2alpha,3E,5alpha,17beta)-17-Hydroxy-2-methylandrostan-3-ylidene]hydrazono}-2-methylandrostan-15-ol | C40H64N2O2

(3E,8ξ,9ξ,14ξ)-3-{(2E)-[(2α,3E,5α,17β)-17-Hydroxy-2-methylandrostan-3-ylidene]hydrazono}-2-methylandrostan-15-ol

  • Molecular FormulaC40H64N2O2
  • Average mass604.948 Da
  • Monoisotopic mass604.496765 Da
  • ChemSpider ID7852569

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 16 defined stereocentres

More details:

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

(3E,8ξ,9ξ,14ξ)-3-{(2E)-[(2α,3E,5α,17β)-17-Hydroxy-2-methylandrostan-3-yliden]hydrazono}-2-methylandrostan-15-ol [German] [ACD/IUPAC Name]
(3E,8ξ,9ξ,14ξ)-3-{(2E)-[(2α,3E,5α,17β)-17-Hydroxy-2-methylandrostan-3-ylidene]hydrazono}-2-methylandrostan-15-ol [ACD/IUPAC Name]
(3E,8ξ,9ξ,14ξ)-3-{(2E)-[(2α,3E,5α,17β)-17-Hydroxy-2-méthylandrostan-3-ylidène]hydrazono}-2-méthylandrostan-15-ol [French] [ACD/IUPAC Name]
Androstan-3-one, 15-hydroxy-2-methyl-, 2-[(2α,3E,5α,17β)-17-hydroxy-2-methylandrostan-3-ylidene]hydrazone, (3E,8ξ,9ξ,14ξ)- [ACD/Index Name]
Bolazina
Bolazinum

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

Density: 1.3±0.1 g/cm3
Boiling Point: 678.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.7 mmHg at 25°C
Enthalpy of Vaporization: 114.0±6.0 kJ/mol
Flash Point: 470.3±20.8 °C
Index of Refraction: 1.674
Molar Refractivity: 175.3±0.5 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 2
ACD/LogP: 8.94
ACD/LogD (pH 5.5): 6.57
ACD/BCF (pH 5.5): 19191.85
ACD/KOC (pH 5.5): 10958.14
ACD/LogD (pH 7.4): 6.73
ACD/BCF (pH 7.4): 27862.88
ACD/KOC (pH 7.4): 15909.11
Polar Surface Area: 65 Å2
Polarizability: 69.5±0.5 10-24cm3
Surface Tension: 47.3±7.0 dyne/cm
Molar Volume: 467.4±7.0 cm3

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