ChemSpider 2D Image | 2-O-beta-D-Glucopyranosyl-1-O-[(5beta,8alpha,9beta,10alpha)-13-{[2-O-(beta-D-glucopyranosyl)-beta-D-glucopyranosyl]oxy}-18-oxokaur-16-en-18-yl]-beta-D-glucopyranose | C44H70O23

2-O-β-D-Glucopyranosyl-1-O-[(5β,8α,9β,10α)-13-{[2-O-(β-D-glucopyranosyl)-β-D-glucopyranosyl]oxy}-18-oxokaur-16-en-18-yl]-β-D-glucopyranose

  • Molecular FormulaC44H70O23
  • Average mass967.013 Da
  • Monoisotopic mass966.430786 Da
  • ChemSpider ID20581076
  • defined stereocentres - 26 of 26 defined stereocentres


More details:






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

2-O-β-D-Glucopyranosyl-1-O-[(5β,8α,9β,10α)-13-{[2-O-(β-D-glucopyranosyl)-β-D-glucopyranosyl]oxy}-18-oxokaur-16-en-18-yl]-β-D-glucopyranose [ACD/IUPAC Name]
2-O-β-D-Glucopyranosyl-1-O-[(5β,8α,9β,10α)-13-{[2-O-(β-D-glucopyranosyl)-β-D-glucopyranosyl]oxy}-18-oxokaur-16-en-18-yl]-β-D-glucopyranose [German] [ACD/IUPAC Name]
2-O-β-D-Glucopyranosyl-1-O-[(5β,8α,9β,10α)-13-{[2-O-(β-D-glucopyranosyl)-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: 1113.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 185.2±6.0 kJ/mol
Flash Point: 323.3±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: -1.02
ACD/LogD (pH 5.5): -1.53
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.51
ACD/LogD (pH 7.4): -1.53
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.51
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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