ChemSpider 2D Image | DIGITOGENIN TRIDIACETATE | C33H50O8

DIGITOGENIN TRIDIACETATE

  • Molecular FormulaC33H50O8
  • Average mass574.745 Da
  • Monoisotopic mass574.350586 Da
  • ChemSpider ID32702134

  • defined stereocentres - 14 of 14 defined stereocentres

More details:

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

(2α,3β,5α,15β,25R)-Spirostan-2,3,15-triyl triacetate [ACD/IUPAC Name]
(2α,3β,5α,15β,25R)-Spirostan-2,3,15-triyl-triacetat [German] [ACD/IUPAC Name]
881179-88-0 [RN]
DIGITOGENIN TRIDIACETATE
Spirostan-2,3,15-triol, triacetate, (2α,3β,5α,15β,25R)- [ACD/Index Name]
Triacétate de (2α,3β,5α,15β,25R)-spirostan-2,3,15-triyle [French] [ACD/IUPAC Name]

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

3K30HMI0LW [DBID]
UNII:3K30HMI0LW [DBID]
UNII-3K30HMI0LW [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 609.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.5±3.0 kJ/mol
Flash Point: 251.4±31.5 °C
Index of Refraction: 1.539
Molar Refractivity: 151.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.92
ACD/LogD (pH 5.5): 5.72
ACD/BCF (pH 5.5): 13222.27
ACD/KOC (pH 5.5): 31018.38
ACD/LogD (pH 7.4): 5.72
ACD/BCF (pH 7.4): 13222.27
ACD/KOC (pH 7.4): 31018.38
Polar Surface Area: 97 Å2
Polarizability: 60.0±0.5 10-24cm3
Surface Tension: 46.1±5.0 dyne/cm
Molar Volume: 483.0±5.0 cm3

Click to predict properties on the Chemicalize site


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