ChemSpider 2D Image | 1-O-[(5beta,9beta,10alpha)-13-{[alpha-D-Lyxopyranosyl-(1->2)-[alpha-D-mannopyranosyl-(1->3)]-alpha-D-mannopyranosyl]oxy}-18-oxokaur-16-en-18-yl]-alpha-D-mannopyranose | C43H68O22

1-O-[(5β,9β,10α)-13-{[α-D-Lyxopyranosyl-(1->2)-[α-D-mannopyranosyl-(1->3)]-α-D-mannopyranosyl]oxy}-18-oxokaur-16-en-18-yl]-α-D-mannopyranose

  • Molecular FormulaC43H68O22
  • Average mass936.987 Da
  • Monoisotopic mass936.420227 Da
  • ChemSpider ID113610217

  • defined stereocentres - 24 of 25 defined stereocentres

More details:

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

1-O-[(5β,9β,10α)-13-{[α-D-Lyxopyranosyl-(1->2)-[α-D-mannopyranosyl-(1->;3)]-α-D-mannopyranosyl]oxy}-18-oxokaur-16-en-18-yl]-α-D-mannopyranose [German] [ACD/IUPAC Name]
1-O-[(5β,9β,10α)-13-{[α-D-Lyxopyranosyl-(1->2)-[α-D-mannopyranosyl-(1->;3)]-α-D-mannopyranosyl]oxy}-18-oxokaur-16-en-18-yl]-α-D-mannopyranose [ACD/IUPAC Name]
1-O-[(5β,9β,10α)-13-{[α-D-Lyxopyranosyl-(1->2)-[α-D-mannopyranosyl-(1->;3)]-α-D-mannopyranosyl]oxy}-18-oxokaur-16-én-18-yl]-α-D-mannopyranose [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: 1071.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 177.6±6.0 kJ/mol
Flash Point: 312.8±27.8 °C
Index of Refraction: 1.655
Molar Refractivity: 217.9±0.4 cm3
#H bond acceptors: 22
#H bond donors: 13
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 1.49
ACD/LogD (pH 5.5): 0.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 33.47
ACD/LogD (pH 7.4): 0.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 33.47
Polar Surface Area: 354 Å2
Polarizability: 86.4±0.5 10-24cm3
Surface Tension: 90.8±5.0 dyne/cm
Molar Volume: 594.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement