ChemSpider 2D Image | prosapogenin | C35H56O8

prosapogenin

  • Molecular FormulaC35H56O8
  • Average mass604.814 Da
  • Monoisotopic mass604.397522 Da
  • ChemSpider ID10252038

  • defined stereocentres - 14 of 14 defined stereocentres

More details:

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

(3β,20β)-19-Hydroxy-3-(β-D-xylopyranosyloxy)urs-12-en-28-oic acid [ACD/IUPAC Name]
(3β,20β)-19-Hydroxy-3-(β-D-xylopyranosyloxy)urs-12-en-28-säure [German] [ACD/IUPAC Name]
Acide (3β,20β)-19-hydroxy-3-(β-D-xylopyranosyloxy)urs-12-én-28-oïque [French] [ACD/IUPAC Name]
prosapogenin
Urs-12-en-28-oic acid, 19-hydroxy-3-(β-D-xylopyranosyloxy)-, (3β,20β)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 716.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.2 mmHg at 25°C
Enthalpy of Vaporization: 119.6±6.0 kJ/mol
Flash Point: 218.6±26.4 °C
Index of Refraction: 1.588
Molar Refractivity: 162.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 3
ACD/LogP: 7.68
ACD/LogD (pH 5.5): 5.67
ACD/BCF (pH 5.5): 6594.86
ACD/KOC (pH 5.5): 9327.63
ACD/LogD (pH 7.4): 3.87
ACD/BCF (pH 7.4): 104.28
ACD/KOC (pH 7.4): 147.49
Polar Surface Area: 137 Å2
Polarizability: 64.5±0.5 10-24cm3
Surface Tension: 57.4±5.0 dyne/cm
Molar Volume: 483.0±5.0 cm3

Click to predict properties on the Chemicalize site


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