ChemSpider 2D Image | (Z)-N-[(3beta,5alpha,7beta,8alpha,9beta,10alpha,12beta,13alpha,14beta,17alpha,20S,24Z)-3,7,12,24-Tetrahydroxycholan-24-ylidene]glycine | C26H43NO6

(Z)-N-[(3β,5α,7β,8α,9β,10α,12β,13α,14β,17α,20S,24Z)-3,7,12,24-Tetrahydroxycholan-24-ylidene]glycine

  • Molecular FormulaC26H43NO6
  • Average mass465.623 Da
  • Monoisotopic mass465.309052 Da
  • ChemSpider ID64872554
  • defined stereocentres - 11 of 11 defined stereocentres


More details:






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

(Z)-N-[(3β,5α,7β,8α,9β,10α,12β,13α,14β,17α,20S,24Z)-3,7,12,24-Tetrahydroxycholan-24-yliden]glycin [German] [ACD/IUPAC Name]
(Z)-N-[(3β,5α,7β,8α,9β,10α,12β,13α,14β,17α,20S,24Z)-3,7,12,24-Tetrahydroxycholan-24-ylidene]glycine [ACD/IUPAC Name]
(Z)-N-[(3β,5α,7β,8α,9β,10α,12β,13α,14β,17α,20S,24Z)-3,7,12,24-Tétrahydroxycholan-24-ylidène]glycine [French] [ACD/IUPAC Name]
Glycine, N-[(3β,5α,7β,8α,9β,10α,12β,13α,14β,17α,20S,24Z)-3,7,12,24-tetrahydroxycholan-24-ylidene]-, (Z)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 655.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.5 mmHg at 25°C
Enthalpy of Vaporization: 110.5±6.0 kJ/mol
Flash Point: 350.1±34.3 °C
Index of Refraction: 1.645
Molar Refractivity: 120.9±0.5 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 2.45
ACD/LogD (pH 5.5): -1.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 131 Å2
Polarizability: 47.9±0.5 10-24cm3
Surface Tension: 53.2±7.0 dyne/cm
Molar Volume: 333.2±7.0 cm3

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