ChemSpider 2D Image | rebaudioside B | C38H60O18

rebaudioside B

  • Molecular FormulaC38H60O18
  • Average mass804.872 Da
  • Monoisotopic mass804.377991 Da
  • ChemSpider ID10216323

  • defined stereocentres - 21 of 21 defined stereocentres

More details:

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

(5β,8α,9β,10α,13α)-13-{[β-D-Glucopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->3)]-β-D-glucopyranosyl]oxy}kaur-16-en-18-oic acid [ACD/IUPAC Name]
(5β,8α,9β,10α,13α)-13-{[β-D-Glucopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->3)]-β-D-glucopyranosyl]oxy}kaur-16-en-18-säure [German] [ACD/IUPAC Name]
58543-17-2 [RN]
Acide (5β,8α,9β,10α,13α)-13-{[β-D-glucopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->3)]-β-D-glucopyranosyl]oxy}kaur-16-én-18-oïque [French] [ACD/IUPAC Name]
rebaudioside B
(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-carboxylic acid
MFCD02752303
REBAUDIOSIDE B(P)(NEW)

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

U2N4XKX7HP [DBID]
UNII:U2N4XKX7HP [DBID]
UNII-U2N4XKX7HP [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

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