ChemSpider 2D Image | rebaudioside I | C50H80O28

rebaudioside I

  • Molecular FormulaC50H80O28
  • Average mass1129.153 Da
  • Monoisotopic mass1128.483643 Da
  • ChemSpider ID24606171

  • defined stereocentres - 31 of 31 defined stereocentres

More details:

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

3-O-β-D-Glucopyranosyl-1-O-[(5β,8α,9β,10α,13α)-13-{[β-D-glucopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->3)]-β-D-glucopyranosyl]oxy}-19-oxokaur-16-en-19-yl]-β-D-glucopyra nose [ACD/IUPAC Name]
3-O-β-D-Glucopyranosyl-1-O-[(5β,8α,9β,10α,13α)-13-{[β-D-glucopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->3)]-β-D-glucopyranosyl]oxy}-19-oxokaur-16-en-19-yl]-β-D-glucopyra nose [German] [ACD/IUPAC Name]
3-O-β-D-Glucopyranosyl-1-O-[(5β,8α,9β,10α,13α)-13-{[β-D-glucopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->3)]-β-D-glucopyranosyl]oxy}-19-oxokaur-16-én-19-yl]-β-D-glucopyra nose [French] [ACD/IUPAC Name]
rebaudioside I
[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl] (1R,4S,5R,9S,10R,13S)-13-[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3,4-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate
1220616-34-1 [RN]
Rebaudioside !

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.670
Molar Refractivity: 257.8±0.4 cm3
#H bond acceptors: 28
#H bond donors: 17
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: -3.68
ACD/LogD (pH 5.5): -3.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 453 Å2
Polarizability: 102.2±0.5 10-24cm3
Surface Tension: 99.6±5.0 dyne/cm
Molar Volume: 690.5±5.0 cm3

Click to predict properties on the Chemicalize site


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