ChemSpider 2D Image | DIGITOGENIN 2,3-DIACETATE | C31H48O7

DIGITOGENIN 2,3-DIACETATE

  • Molecular FormulaC31H48O7
  • Average mass532.709 Da
  • Monoisotopic mass532.340027 Da
  • ChemSpider ID32698128
  • 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)-15-Hydroxyspirostan-2,3-diyl diacetate [ACD/IUPAC Name]
(2α,3β,5α,15β,25R)-15-Hydroxyspirostan-2,3-diyl-diacetat [German] [ACD/IUPAC Name]
51478-16-1 [RN]
Diacétate de (2α,3β,5α,15β,25R)-15-hydroxyspirostan-2,3-diyle [French] [ACD/IUPAC Name]
DIGITOGENIN 2,3-DIACETATE
Spirostan-2,3,15-triol, 2,3-diacetate, (2α,3β,5α,15β,25R)- [ACD/Index Name]

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

6U0VGN877K [DBID]
UNII:6U0VGN877K [DBID]
UNII-6U0VGN877K [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: 603.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 102.9±6.0 kJ/mol
Flash Point: 186.3±25.0 °C
Index of Refraction: 1.550
Molar Refractivity: 141.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 5.09
ACD/LogD (pH 5.5): 4.85
ACD/BCF (pH 5.5): 2840.52
ACD/KOC (pH 5.5): 10316.61
ACD/LogD (pH 7.4): 4.85
ACD/BCF (pH 7.4): 2840.52
ACD/KOC (pH 7.4): 10316.61
Polar Surface Area: 91 Å2
Polarizability: 56.2±0.5 10-24cm3
Surface Tension: 47.6±5.0 dyne/cm
Molar Volume: 445.4±5.0 cm3

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