ChemSpider 2D Image | Chikusetsusaponin III | C47H80O17

Chikusetsusaponin III

  • Molecular FormulaC47H80O17
  • Average mass917.128 Da
  • Monoisotopic mass916.539551 Da
  • ChemSpider ID29273184

  • defined stereocentres - 24 of 24 defined stereocentres

More details:

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

(3β,12β)-12,20-Dihydroxydammar-24-en-3-yl β-D-glucopyranosyl-(1->2)-[β-D-xylopyranosyl-(1->6)]-β-D-glucopyranoside [ACD/IUPAC Name]
(3β,12β)-12,20-Dihydroxydammar-24-en-3-yl-β-D-glucopyranosyl-(1->2)-[β-D-xylopyranosyl-(1->6)]-β-D-glucopyranosid [German] [ACD/IUPAC Name]
29845-71-4 [RN]
Chikusetsusaponin III
β-D-Glucopyranoside, (3β,12β)-12,20-dihydroxydammar-24-en-3-yl O-β-D-glucopyranosyl-(1->2)-O-[β-D-xylopyranosyl-(1->6)]- [ACD/Index Name]
β-D-Glucopyranosyl-(1->2)-[β-D-xylopyranosyl-(1->6)]-β-D-glucopyranoside de (3β,12β)-12,20-dihydroxydammar-24-én-3-yle [French] [ACD/IUPAC Name]
(3β,12β)-12,20-Dihydroxydammar-24-en-3-yl O-β-D-glucopyranosyl-(1-2)-O-[β-D-xylopyranosyl-(1-6)]-β-D-glucopyranoside

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

Density: 1.4±0.1 g/cm3
Boiling Point: 995.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 164.6±6.0 kJ/mol
Flash Point: 556.0±34.3 °C
Index of Refraction: 1.607
Molar Refractivity: 232.0±0.4 cm3
#H bond acceptors: 17
#H bond donors: 11
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 4
ACD/LogP: 5.06
ACD/LogD (pH 5.5): 3.25
ACD/BCF (pH 5.5): 174.13
ACD/KOC (pH 5.5): 1397.47
ACD/LogD (pH 7.4): 3.25
ACD/BCF (pH 7.4): 174.13
ACD/KOC (pH 7.4): 1397.47
Polar Surface Area: 278 Å2
Polarizability: 92.0±0.5 10-24cm3
Surface Tension: 69.5±5.0 dyne/cm
Molar Volume: 672.1±5.0 cm3

Click to predict properties on the Chemicalize site


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