ChemSpider 2D Image | 1-O-[(5beta,9beta,10alpha,13alpha)-13-{[6-Deoxy-alpha-L-mannopyranosyl-(1->2)-beta-D-glucopyranosyl-(1->3)-beta-D-glucopyranosyl]oxy}-18-oxokaur-16-en-18-yl]-beta-D-glucopyranose | C44H70O22

1-O-[(5β,9β,10α,13α)-13-{[6-Deoxy-α-L-mannopyranosyl-(1->2)-β-D-glucopyranosyl-(1->3)-β-D-glucopyranosyl]oxy}-18-oxokaur-16-en-18-yl]-β-D-glucopyranose

  • Molecular FormulaC44H70O22
  • Average mass951.013 Da
  • Monoisotopic mass950.435852 Da
  • ChemSpider ID65047842

  • defined stereocentres - 25 of 26 defined stereocentres

More details:

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

1-O-[(5β,9β,10α,13α)-13-{[6-Deoxy-α-L-mannopyranosyl-(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,10α,13α)-13-{[6-Desoxy-α-L-mannopyranosyl-(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,10α,13α)-13-{[6-Désoxy-α-L-mannopyranosyl-(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, version: 14.00

Density: 1.6±0.1 g/cm3
Boiling Point: 1084.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 180.1±6.0 kJ/mol
Flash Point: 315.2±27.8 °C
Index of Refraction: 1.649
Molar Refractivity: 222.5±0.4 cm3
#H bond acceptors: 22
#H bond donors: 13
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 4.00
ACD/LogD (pH 5.5): 2.20
ACD/BCF (pH 5.5): 27.68
ACD/KOC (pH 5.5): 374.69
ACD/LogD (pH 7.4): 2.20
ACD/BCF (pH 7.4): 27.68
ACD/KOC (pH 7.4): 374.69
Polar Surface Area: 354 Å2
Polarizability: 88.2±0.5 10-24cm3
Surface Tension: 88.3±5.0 dyne/cm
Molar Volume: 610.7±5.0 cm3

Click to predict properties on the Chemicalize site


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