ChemSpider 2D Image | rebaudioside F | C43H68O22

rebaudioside F

  • Molecular FormulaC43H68O22
  • Average mass936.987 Da
  • Monoisotopic mass936.420227 Da
  • ChemSpider ID24606169

  • defined stereocentres - 25 of 25 defined stereocentres

More details:

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

1-O-[(5β,8α,9β,10α,13α)-13-{[β-D-Glucopyranosyl-(1->3)-[β-D-xylopyranosyl-(1->2)]-β-D-glucopyranosyl]oxy}-18-oxokaur-16-en-18-yl]-β-D-glucopyranose [ACD/IUPAC Name]
1-O-[(5β,8α,9β,10α,13α)-13-{[β-D-Glucopyranosyl-(1->3)-[β-D-xylopyranosyl-(1->2)]-β-D-glucopyranosyl]oxy}-18-oxokaur-16-en-18-yl]-β-D-glucopyranose [German] [ACD/IUPAC Name]
1-O-[(5β,8α,9β,10α,13α)-13-{[β-D-Glucopyranosyl-(1->3)-[β-D-xylopyranosyl-(1->2)]-β-D-glucopyranosyl]oxy}-18-oxokaur-16-én-18-yl]-β-D-glucopyranose [French] [ACD/IUPAC Name]
438045-89-7 [RN]
rebaudioside F
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,4S,5R,9S,10R,13S)-13-[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate
MFCD32197401

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

9JYN4KSY90 [DBID]
UNII:9JYN4KSY90 [DBID]
UNII-9JYN4KSY90 [DBID]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 1071.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 177.6±6.0 kJ/mol
Flash Point: 312.8±27.8 °C
Index of Refraction: 1.655
Molar Refractivity: 217.9±0.4 cm3
#H bond acceptors: 22
#H bond donors: 13
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 1.49
ACD/LogD (pH 5.5): 0.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 33.47
ACD/LogD (pH 7.4): 0.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 33.47
Polar Surface Area: 354 Å2
Polarizability: 86.4±0.5 10-24cm3
Surface Tension: 90.8±5.0 dyne/cm
Molar Volume: 594.1±5.0 cm3

Click to predict properties on the Chemicalize site


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