ChemSpider 2D Image | (3beta,5beta)-3-[(N,N-Dibutylglycyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-enolide | C33H51NO7

(3β,5β)-3-[(N,N-Dibutylglycyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-enolide

  • Molecular FormulaC33H51NO7
  • Average mass573.760 Da
  • Monoisotopic mass573.366577 Da
  • ChemSpider ID21270084

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3β,5β)-3-[(N,N-Dibutylglycyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-enolid [German] [ACD/IUPAC Name]
(3β,5β)-3-[(N,N-Dibutylglycyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-enolide [ACD/IUPAC Name]
(3β,5β)-3-[(N,N-Dibutylglycyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-énolide [French] [ACD/IUPAC Name]
Card-20(22)-enolide, 3-[[2-(dibutylamino)acetyl]oxy]-5,14-dihydroxy-19-oxo-, (3β,5β)- [ACD/Index Name]
3-Di-n-butylaminoacetyl strophanthidin
Strophanthidin, 3-((dibutylamino)acetyl)-

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

Density: 1.2±0.1 g/cm3
Boiling Point: 695.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.0 mmHg at 25°C
Enthalpy of Vaporization: 116.5±6.0 kJ/mol
Flash Point: 374.5±31.5 °C
Index of Refraction: 1.569
Molar Refractivity: 155.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 3.86
ACD/LogD (pH 5.5): 1.66
ACD/BCF (pH 5.5): 4.06
ACD/KOC (pH 5.5): 30.02
ACD/LogD (pH 7.4): 3.18
ACD/BCF (pH 7.4): 133.95
ACD/KOC (pH 7.4): 989.50
Polar Surface Area: 113 Å2
Polarizability: 61.6±0.5 10-24cm3
Surface Tension: 54.1±5.0 dyne/cm
Molar Volume: 474.1±5.0 cm3

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