ChemSpider 2D Image | 1-O-[(10xi)-13-{[alpha-D-glycero-Hexopyranosyl-(1->2)-[alpha-D-glycero-hexopyranosyl-(1->4)]-alpha-D-glycero-hexopyranosyl]oxy}-19-oxokaur-16-en-19-yl]-alpha-D-glycero-hexopyranose | C44H70O23

1-O-[(10ξ)-13-{[α-D-glycero-Hexopyranosyl-(1->2)-[α-D-glycero-hexopyranosyl-(1->4)]-α-D-glycero-hexopyranosyl]oxy}-19-oxokaur-16-en-19-yl]-α-D-glycero-hexopyranose

  • Molecular FormulaC44H70O23
  • Average mass967.013 Da
  • Monoisotopic mass966.430786 Da
  • ChemSpider ID28473630
  • defined stereocentres - 11 of 26 defined stereocentres


More details:






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

1-O-[(10ξ)-13-{[α-D-glycero-Hexopyranosyl-(1->2)-[α-D-glycero-hexopyranosyl-(1->4)]-α-D-glycero-hexopyranosyl]oxy}-19-oxokaur-16-en-19-yl]-α-D-glycero-hexopyranose [ACD/IUPAC Name]
1-O-[(10ξ)-13-{[α-D-glycero-Hexopyranosyl-(1->2)-[α-D-glycero-hexopyranosyl-(1->4)]-α-D-glycero-hexopyranosyl]oxy}-19-oxokaur-16-en-19-yl]-α-D-glycero-hexopyranose [German] [ACD/IUPAC Name]
1-O-[(10ξ)-13-{[α-D-glycéro-Hexopyranosyl-(1->2)-[α-D-glycéro-hexopyranosyl-(1->4)]-α-D-glycéro-hexopyranosyl]oxy}-19-oxokaur-16-én-19-yl]-α-D-glycéro-hexopyranose [French] [ACD/IUPAC Name]
58543-16-1 [RN]
Rebaudioside A [Wiki]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 1107.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 184.1±6.0 kJ/mol
Flash Point: 321.4±27.8 °C
Index of Refraction: 1.659
Molar Refractivity: 224.1±0.4 cm3
#H bond acceptors: 23
#H bond donors: 14
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: -1.39
ACD/LogD (pH 5.5): -1.76
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.62
ACD/LogD (pH 7.4): -1.76
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.62
Polar Surface Area: 374 Å2
Polarizability: 88.8±0.5 10-24cm3
Surface Tension: 93.3±5.0 dyne/cm
Molar Volume: 607.8±5.0 cm3

Click to predict properties on the Chemicalize site






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