ChemSpider 2D Image | rebaudioside KA | C38H60O18

rebaudioside KA

  • Molecular FormulaC38H60O18
  • Average mass804.872 Da
  • Monoisotopic mass804.377991 Da
  • ChemSpider ID32033962

  • defined stereocentres - 21 of 21 defined stereocentres

More details:

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2-O-β-D-Glucopyranosyl-1-O-[(5β,8α,9β,10α,13α)-13-(β-D-glucopyranosyloxy)-18-oxokaur-16-en-18-yl]-β-D-glucopyranose [German] [ACD/IUPAC Name]
2-O-β-D-Glucopyranosyl-1-O-[(5β,8α,9β,10α,13α)-13-(β-D-glucopyranosyloxy)-18-oxokaur-16-en-18-yl]-β-D-glucopyranose [ACD/IUPAC Name]
2-O-β-D-Glucopyranosyl-1-O-[(5β,8α,9β,10α,13α)-13-(β-D-glucopyranosyloxy)-18-oxokaur-16-én-18-yl]-β-D-glucopyranose [French] [ACD/IUPAC Name]
rebaudioside KA
13-β-D-glucopyranosyloxy-kaur-16-en-18-oic acid, (4α)-[(2-O-β-D-glucopyranosyl-β-D-glucopyranosyl) ester

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

Density: 1.5±0.1 g/cm3
Boiling Point: 969.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 160.2±6.0 kJ/mol
Flash Point: 292.4±27.8 °C
Index of Refraction: 1.646
Molar Refractivity: 190.4±0.4 cm3
#H bond acceptors: 18
#H bond donors: 11
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -0.43
ACD/LogD (pH 5.5): -0.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.64
ACD/LogD (pH 7.4): -0.64
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 10.64
Polar Surface Area: 295 Å2
Polarizability: 75.5±0.5 10-24cm3
Surface Tension: 85.7±5.0 dyne/cm
Molar Volume: 524.7±5.0 cm3

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