ChemSpider 2D Image | a-Chaconine | C45H73NO14

a-Chaconine

  • Molecular FormulaC45H73NO14
  • Average mass852.059 Da
  • Monoisotopic mass851.503113 Da
  • ChemSpider ID23089560

  • defined stereocentres - 26 of 26 defined stereocentres

More details:

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

(3β)-Solanid-5-en-3-yl 6-deoxy-α-L-mannopyranosyl-(1->4)-[6-deoxy-α-L-talopyranosyl-(1->2)]-β-D-talopyranoside [ACD/IUPAC Name]
(3β)-Solanid-5-en-3-yl-6-desoxy-α-L-mannopyranosyl-(1->;4)-[6-desoxy-α-L-talopyranosyl-(1->;2)]-β-D-talopyranosid [German] [ACD/IUPAC Name]
20562-03-2 [RN]
6-Désoxy-α-L-mannopyranosyl-(1->4)-[6-désoxy-α-L-talopyranosyl-(1->2)]-β-D-talopyranoside de (3β)-solanid-5-én-3-yle [French] [ACD/IUPAC Name]
a-Chaconine
Aconine: -D-Glucopyranoside, (3)-solanid-5-en-3-yl O-6-deoxy--L-mannopyranosyl-(1->2)-O-[6-deoxy--L-mannopyranosyl-(1->4)]-
β-D-Talopyranoside, (3β)-solanid-5-en-3-yl O-6-deoxy-α-L-mannopyranosyl-(1->4)-O-[6-deoxy-α-L-talopyranosyl-(1->2)]- [ACD/Index Name]
(3b)-Solanid-5-en-3-yl O-6-deoxy-a-L-mannopyranosyl-(1-2)-O-(6-deoxy-a-L-mannopyranosyl-(1-4))-b-D-glucopyranoside
[20562-03-2] [RN]
b-D-Glucopyranoside, (3b)-solanid-5-en-3-yl O-6-deoxy-a-L-mannopyranosyl-(1&reg
More...
  • Experimental Physico-chemical Properties

    • Experimental Melting Point:

      228-236 °C CSDeposition Service [021553S]
      228-236 °C Indofine [021553S]
      228-236 °C Indofine [021553S] , [021553S]

    • Experimental Solubility:

      .; pyridine: 10 mg/mL, clear, very faintly yellow CSDeposition Service [021553S]
      .; pyridine: 10 mg/mL, clear, very faintly yellow Indofine [021553S]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.622
Molar Refractivity: 217.8±0.4 cm3
#H bond acceptors: 15
#H bond donors: 8
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 4
ACD/LogP: 8.50
ACD/LogD (pH 5.5): 3.05
ACD/BCF (pH 5.5): 22.02
ACD/KOC (pH 5.5): 41.86
ACD/LogD (pH 7.4): 3.08
ACD/BCF (pH 7.4): 23.88
ACD/KOC (pH 7.4): 45.39
Polar Surface Area: 220 Å2
Polarizability: 86.3±0.5 10-24cm3
Surface Tension: 68.5±5.0 dyne/cm
Molar Volume: 618.6±5.0 cm3

Click to predict properties on the Chemicalize site


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