Found 157 results

Search term: MF = 'C_{32}H_{41}NO_{4}'
ChemSpider 2D Image | (3beta)-14-Hydroxy-3-{[2-(4-hydroxyphenyl)ethyl]amino}bufa-4,20,22-trienolide | C32H41NO4

(3β)-14-Hydroxy-3-{[2-(4-hydroxyphenyl)ethyl]amino}bufa-4,20,22-trienolide

  • Molecular FormulaC32H41NO4
  • Average mass503.672 Da
  • Monoisotopic mass503.303558 Da
  • ChemSpider ID163836

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(3β)-14-Hydroxy-3-{[2-(4-hydroxyphenyl)ethyl]amino}bufa-4,20,22-trienolid [German] [ACD/IUPAC Name]
(3β)-14-Hydroxy-3-{[2-(4-hydroxyphenyl)ethyl]amino}bufa-4,20,22-trienolide [ACD/IUPAC Name]
(3β)-14-Hydroxy-3-{[2-(4-hydroxyphényl)éthyl]amino}bufa-4,20,22-triénolide [French] [ACD/IUPAC Name]
Bufa-4,20,22-trienolide, 14-hydroxy-3-[[2-(4-hydroxyphenyl)ethyl]amino]-, (3β)- [ACD/Index Name]
99223-92-4 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 694.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.8±3.0 kJ/mol
Flash Point: 373.5±31.5 °C
Index of Refraction: 1.629
Molar Refractivity: 144.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 4.71
ACD/LogD (pH 5.5): 1.93
ACD/BCF (pH 5.5): 3.26
ACD/KOC (pH 5.5): 11.22
ACD/LogD (pH 7.4): 3.07
ACD/BCF (pH 7.4): 44.91
ACD/KOC (pH 7.4): 154.76
Polar Surface Area: 79 Å2
Polarizability: 57.4±0.5 10-24cm3
Surface Tension: 57.3±5.0 dyne/cm
Molar Volume: 407.1±5.0 cm3

Click to predict properties on the Chemicalize site


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