ChemSpider 2D Image | rebaudioside H | C50H80O27

rebaudioside H

  • Molecular FormulaC50H80O27
  • Average mass1113.154 Da
  • Monoisotopic mass1112.488647 Da
  • ChemSpider ID24606172

  • defined stereocentres - 31 of 31 defined stereocentres

More details:

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

1220616-36-3 [RN]
1-O-[(5β,8α,9β,10α,13α)-13-{[β-D-Glucopyranosyl-(1->3)-[β-D-glucopyranosyl-(1->3)-6-deoxy-α-L-mannopyranosyl-(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-glucopyranosyl-(1->3)-6-desoxy-α-L-mannopyranosyl-(1->2)]-β-D-glucopyranosyl]oxy}-18-oxokaur-16-en-18-yl]-bet a-D-glucopyranose [German] [ACD/IUPAC Name]
1-O-[(5β,8α,9β,10α,13α)-13-{[β-D-Glucopyranosyl-(1->3)-[β-D-glucopyranosyl-(1->3)-6-désoxy-α-L-mannopyranosyl-(1->2)]-β-D-glucopyranosyl]oxy}-18-oxokaur-16-én-18-yl]-bêt a-D-glucopyranose [French] [ACD/IUPAC Name]
rebaudioside H

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: 1.661
Molar Refractivity: 256.3±0.4 cm3
#H bond acceptors: 27
#H bond donors: 16
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: -0.53
ACD/LogD (pH 5.5): -1.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.65
ACD/LogD (pH 7.4): -1.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.65
Polar Surface Area: 433 Å2
Polarizability: 101.6±0.5 10-24cm3
Surface Tension: 94.9±5.0 dyne/cm
Molar Volume: 693.4±5.0 cm3

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