Found 1 result

Search term: FJMLHLQYXMZWTC (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 22,23-Dihydroxyolean-12-en-2-yl 3,6-dideoxy-beta-D-xylo-hexopyranosyl-(1->2)-beta-D-gulopyranosyl-(1->2)-(4xi)-beta-D-ribo-hexopyranosiduronic acid | C48H78O17

22,23-Dihydroxyolean-12-en-2-yl 3,6-dideoxy-β-D-xylo-hexopyranosyl-(1->2)-β-D-gulopyranosyl-(1->2)-(4ξ)-β-D-ribo-hexopyranosiduronic acid

  • Molecular FormulaC48H78O17
  • Average mass927.123 Da
  • Monoisotopic mass926.523926 Da
  • ChemSpider ID4479161

  • defined stereocentres - 13 of 24 defined stereocentres

More details:

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

22,23-Dihydroxyolean-12-en-2-yl 3,6-dideoxy-β-D-xylo-hexopyranosyl-(1->2)-β-D-gulopyranosyl-(1->2)-(4ξ)-β-D-ribo-hexopyranosiduronic acid [ACD/IUPAC Name]
22,23-Dihydroxyolean-12-en-2-yl-3,6-didesoxy-β-D-xylo-hexopyranosyl-(1->2)-β-D-gulopyranosyl-(1->2)-(4ξ)-β-D-ribo-hexopyranosiduronsäure [German] [ACD/IUPAC Name]
Acide 3,6-didésoxy-β-D-xylo-hexopyranosyl-(1->2)-β-D-gulopyranosyl-(1->;2)-(4ξ)-β-D-ribo-hexopyranosiduronique de 22,23-dihydroxyoléan-12-én-2-yle [French] [ACD/IUPAC Name]
β-D-ribo-Hexopyranosiduronic acid, 22,23-dihydroxyolean-12-en-2-yl O-3,6-dideoxy-β-D-xylo-hexopyranosyl-(1->2)-O-β-D-gulopyranosyl-(1->2)-, (4ξ)- [ACD/Index Name]
Soyasaponin

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

Density: 1.4±0.1 g/cm3
Boiling Point: 1017.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 168.3±6.0 kJ/mol
Flash Point: 289.8±27.8 °C
Index of Refraction: 1.615
Molar Refractivity: 233.2±0.4 cm3
#H bond acceptors: 17
#H bond donors: 10
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 4
ACD/LogP: 8.74
ACD/LogD (pH 5.5): 3.63
ACD/BCF (pH 5.5): 76.07
ACD/KOC (pH 5.5): 132.07
ACD/LogD (pH 7.4): 2.63
ACD/BCF (pH 7.4): 7.65
ACD/KOC (pH 7.4): 13.28
Polar Surface Area: 275 Å2
Polarizability: 92.4±0.5 10-24cm3
Surface Tension: 70.5±5.0 dyne/cm
Molar Volume: 668.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement