Found 57 results

Search term: MF = 'C_{47}H_{76}O_{16}'
ChemSpider 2D Image | (3beta,5xi,13xi,18xi)-3-{[beta-D-Glucopyranosyl-(1->3)-6-deoxy-alpha-L-mannopyranosyl-(1->2)-alpha-L-arabinopyranosyl]oxy}lup-20(29)-en-28-oic acid | C47H76O16

(3β,5ξ,13ξ,18ξ)-3-{[β-D-Glucopyranosyl-(1->3)-6-deoxy-α-L-mannopyranosyl-(1->2)-α-L-arabinopyranosyl]oxy}lup-20(29)-en-28-oic acid

  • Molecular FormulaC47H76O16
  • Average mass897.097 Da
  • Monoisotopic mass896.513306 Da
  • ChemSpider ID9380313

  • defined stereocentres - 21 of 24 defined stereocentres

More details:

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

(3β,5ξ,13ξ,18ξ)-3-{[β-D-Glucopyranosyl-(1->3)-6-deoxy-α-L-mannopyranosyl-(1->2)-α-L-arabinopyranosyl]oxy}lup-20(29)-en-28-oic acid [ACD/IUPAC Name]
(3β,5ξ,13ξ,18ξ)-3-{[β-D-Glucopyranosyl-(1->3)-6-desoxy-α-L-mannopyranosyl-(1->2)-α-L-arabinopyranosyl]oxy}lup-20(29)-en-28-säure [German] [ACD/IUPAC Name]
Acide (3β,5ξ,13ξ,18ξ)-3-{[β-D-glucopyranosyl-(1->3)-6-désoxy-α-L-mannopyranosyl-(1->2)-α-L-arabinopyranosyl]oxy}lup-20(29)-én-28-oïque [French] [ACD/IUPAC Name]
Lup-20(29)-en-28-oic acid, 3-[[O-β-D-glucopyranosyl-(1->3)-O-6-deoxy-α-L-mannopyranosyl-(1->2)-α-L-arabinopyranosyl]oxy]-, (3β,5ξ,13ξ,18ξ)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 973.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 160.7±6.0 kJ/mol
Flash Point: 278.2±27.8 °C
Index of Refraction: 1.606
Molar Refractivity: 226.9±0.4 cm3
#H bond acceptors: 16
#H bond donors: 9
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 4
ACD/LogP: 7.38
ACD/LogD (pH 5.5): 4.04
ACD/BCF (pH 5.5): 412.62
ACD/KOC (pH 5.5): 1397.06
ACD/LogD (pH 7.4): 2.24
ACD/BCF (pH 7.4): 6.49
ACD/KOC (pH 7.4): 21.98
Polar Surface Area: 255 Å2
Polarizability: 89.9±0.5 10-24cm3
Surface Tension: 67.3±5.0 dyne/cm
Molar Volume: 657.7±5.0 cm3

Click to predict properties on the Chemicalize site


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