ChemSpider 2D Image | 1-O-[(5beta,9beta,12beta,13alpha)-12-{[beta-D-Glucopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->3)]-beta-D-glucopyranosyl]oxy}-18-oxokaur-16-en-18-yl]-beta-D-glucopyranose | C44H70O23

1-O-[(5β,9β,12β,13α)-12-{[β-D-Glucopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->3)]-β-D-glucopyranosyl]oxy}-18-oxokaur-16-en-18-yl]-β-D-glucopyranose

  • Molecular FormulaC44H70O23
  • Average mass967.013 Da
  • Monoisotopic mass966.430786 Da
  • ChemSpider ID58906584
  • defined stereocentres - 27 of 27 defined stereocentres


More details:






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

1-O-[(5β,9β,12β,13α)-12-{[β-D-Glucopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->3)]-β-D-glucopyranosyl]oxy}-18-oxokaur-16-en-18-yl]-β-D-glucopyranose [German] [ACD/IUPAC Name]
1-O-[(5β,9β,12β,13α)-12-{[β-D-Glucopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->3)]-β-D-glucopyranosyl]oxy}-18-oxokaur-16-en-18-yl]-β-D-glucopyranose [ACD/IUPAC Name]
1-O-[(5β,9β,12β,13α)-12-{[β-D-Glucopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->3)]-β-D-glucopyranosyl]oxy}-18-oxokaur-16-én-18-yl]-β-D-glucopyranose [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 1103.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 183.4±6.0 kJ/mol
Flash Point: 320.2±27.8 °C
Index of Refraction: 1.658
Molar Refractivity: 224.0±0.4 cm3
#H bond acceptors: 23
#H bond donors: 14
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: -1.12
ACD/LogD (pH 5.5): -1.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.66
ACD/LogD (pH 7.4): -1.50
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.66
Polar Surface Area: 374 Å2
Polarizability: 88.8±0.5 10-24cm3
Surface Tension: 92.7±5.0 dyne/cm
Molar Volume: 608.6±5.0 cm3

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