ChemSpider 2D Image | (5xi,8alpha,9xi,10alpha,13alpha)-13-{[beta-L-Glucopyranosyl-(1->2)-[beta-L-glucopyranosyl-(1->3)]-beta-L-glucopyranosyl]oxy}kaur-16-en-18-oic acid | C38H60O18

(5ξ,8α,9ξ,10α,13α)-13-{[β-L-Glucopyranosyl-(1->2)-[β-L-glucopyranosyl-(1->3)]-β-L-glucopyranosyl]oxy}kaur-16-en-18-oic acid

  • Molecular FormulaC38H60O18
  • Average mass804.872 Da
  • Monoisotopic mass804.377991 Da
  • ChemSpider ID2342102

  • defined stereocentres - 19 of 21 defined stereocentres

More details:

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

(5ξ,8α,9ξ,10α,13α)-13-{[β-L-Glucopyranosyl-(1->2)-[β-L-glucopyranosyl-(1->3)]-β-L-glucopyranosyl]oxy}kaur-16-en-18-oic acid [ACD/IUPAC Name]
(5ξ,8α,9ξ,10α,13α)-13-{[β-L-Glucopyranosyl-(1->2)-[β-L-glucopyranosyl-(1->3)]-β-L-glucopyranosyl]oxy}kaur-16-en-18-säure [German] [ACD/IUPAC Name]
Acide (5ξ,8α,9ξ,10α,13α)-13-{[β-L-glucopyranosyl-(1->2)-[β-L-glucopyranosyl-(1->3)]-β-L-glucopyranosyl]oxy}kaur-16-én-18-oïque [French] [ACD/IUPAC Name]
58543-17-2 [RN]
rebaudioside B
rebaudiosideB

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

CCRIS 6118 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 1000.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 165.4±6.0 kJ/mol
Flash Point: 302.5±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: -0.39
ACD/LogD (pH 5.5): -1.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.60
ACD/LogD (pH 7.4): -3.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
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

Click to predict properties on the Chemicalize site


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