ChemSpider 2D Image | (3beta,5beta)-3-{[N-(4-Aminobutyl)glycyl]oxy}-5,14-dihydroxy-19-oxocard-20(22)-enolide | C29H44N2O7

(3β,5β)-3-{[N-(4-Aminobutyl)glycyl]oxy}-5,14-dihydroxy-19-oxocard-20(22)-enolide

  • Molecular FormulaC29H44N2O7
  • Average mass532.669 Da
  • Monoisotopic mass532.314880 Da
  • ChemSpider ID165888

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3β,5β)-3-{[N-(4-Aminobutyl)glycyl]oxy}-5,14-dihydroxy-19-oxocard-20(22)-enolid [German] [ACD/IUPAC Name]
(3β,5β)-3-{[N-(4-Aminobutyl)glycyl]oxy}-5,14-dihydroxy-19-oxocard-20(22)-enolide [ACD/IUPAC Name]
(3β,5β)-3-{[N-(4-Aminobutyl)glycyl]oxy}-5,14-dihydroxy-19-oxocard-20(22)-énolide [French] [ACD/IUPAC Name]
Card-20(22)-enolide, 3-[[2-[(4-aminobutyl)amino]acetyl]oxy]-5,14-dihydroxy-19-oxo-, (3β,5β)- [ACD/Index Name]
Glycine, N-(4-aminobutyl)-, (3β,5β,14β)-21,23-epoxy-5,14-dihydroxy-19,23-dioxo-24-norchol-20(22)-en-3-yl ester
40520-83-0 [RN]
N-(4'-Amino-n-butyl)-3-aminoacetylstrophanthidin

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

Density: 1.3±0.1 g/cm3
Boiling Point: 707.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 118.3±6.0 kJ/mol
Flash Point: 381.7±32.9 °C
Index of Refraction: 1.591
Molar Refractivity: 140.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 0.13
ACD/LogD (pH 5.5): -3.53
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 148 Å2
Polarizability: 55.6±0.5 10-24cm3
Surface Tension: 60.8±5.0 dyne/cm
Molar Volume: 414.5±5.0 cm3

Click to predict properties on the Chemicalize site


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