ChemSpider 2D Image | (3alpha,5beta,8alpha,9beta,10alpha,13alpha,14beta,17alpha,18beta,19beta)-3-{[6-Deoxy-alpha-D-mannopyranosyl-(1->2)-[beta-L-glucopyranosyl-(1->4)]-alpha-D-lyxopyranosyl]oxy}-24-hydroxylup-20(29)-en-28- oic acid | C47H76O17

(3α,5β,8α,9β,10α,13α,14β,17α,18β,19β)-3-{[6-Deoxy-α-D-mannopyranosyl-(1->2)-[β-L-glucopyranosyl-(1->4)]-α-D-lyxopyranosyl]oxy}-24-hydroxylup-20(29)-en-28- oic acid

  • Molecular FormulaC47H76O17
  • Average mass913.096 Da
  • Monoisotopic mass912.508240 Da
  • ChemSpider ID82965907

  • defined stereocentres - 25 of 25 defined stereocentres

More details:

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

(3α,5β,8α,9β,10α,13α,14β,17α,18β,19β)-3-{[6-Deoxy-α-D-mannopyranosyl-(1->2)-[β-L-glucopyranosyl-(1->4)]-α-D-lyxopyranosyl]oxy}-24-hydroxylup-20(29)-en-28- oic acid [ACD/IUPAC Name]
(3α,5β,8α,9β,10α,13α,14β,17α,18β,19β)-3-{[6-Desoxy-α-D-mannopyranosyl-(1->;2)-[β-L-glucopyranosyl-(1->4)]-α-D-lyxopyranosyl]oxy}-24-hydroxylup-20(29)-en-28 -säure [German] [ACD/IUPAC Name]
Acide (3α,5β,8α,9β,10α,13α,14β,17α,18β,19β)-3-{[6-désoxy-α-D-mannopyranosyl-(1->2)-[β-L-glucopyranosyl-(1->4)]-α-D-lyxopyranosyl]oxy}-24-hydroxylup-20(29) -én-28-oïque [French] [ACD/IUPAC Name]
Lup-20(29)-en-28-oic acid, 3-[[O-6-deoxy-α-D-mannopyranosyl-(1->2)-O-[β-L-glucopyranosyl-(1->4)]-α-D-lyxopyranosyl]oxy]-24-hydroxy-, (3α,5β,8α,9β,10α,13α,14β,17alph
 a,18β,19β)- [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: 994.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 164.3±6.0 kJ/mol
Flash Point: 284.3±27.8 °C
Index of Refraction: 1.615
Molar Refractivity: 228.4±0.4 cm3
#H bond acceptors: 17
#H bond donors: 10
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 4
ACD/LogP: 5.66
ACD/LogD (pH 5.5): 2.60
ACD/BCF (pH 5.5): 32.76
ACD/KOC (pH 5.5): 226.91
ACD/LogD (pH 7.4): 0.79
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.57
Polar Surface Area: 275 Å2
Polarizability: 90.5±0.5 10-24cm3
Surface Tension: 71.0±5.0 dyne/cm
Molar Volume: 654.8±5.0 cm3

Click to predict properties on the Chemicalize site


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