ChemSpider 2D Image | (2beta,3beta,5beta,8xi,9xi,14xi,16xi,17xi)-3-{[2-O-(beta-D-Allopyranosyl)-beta-D-gulopyranosyl]oxy}-2-hydroxyfurost-20(22)-en-26-yl beta-D-allopyranoside | C45H74O19

(2β,3β,5β,8ξ,9ξ,14ξ,16ξ,17ξ)-3-{[2-O-(β-D-Allopyranosyl)-β-D-gulopyranosyl]oxy}-2-hydroxyfurost-20(22)-en-26-yl β-D-allopyranoside

  • Molecular FormulaC45H74O19
  • Average mass919.058 Da
  • Monoisotopic mass918.482422 Da
  • ChemSpider ID4884911
  • defined stereocentres - 20 of 26 defined stereocentres


More details:






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

(2β,3β,5β,8ξ,9ξ,14ξ,16ξ,17ξ)-3-{[2-O-(β-D-Allopyranosyl)-β-D-gulopyranosyl]oxy}-2-hydroxyfurost-20(22)-en-26-yl β-D-allopyranoside [ACD/IUPAC Name]
(2β,3β,5β,8ξ,9ξ,14ξ,16ξ,17ξ)-3-{[2-O-(β-D-Allopyranosyl)-β-D-gulopyranosyl]oxy}-2-hydroxyfurost-20(22)-en-26-yl-β-D-allopyranosid [German] [ACD/IUPAC Name]
β-D-Allopyranoside de (2β,3β,5β,8ξ,9ξ,14ξ,16ξ,17ξ)-3-{[2-O-(β-D-allopyranosyl)-β-D-gulopyranosyl]oxy}-2-hydroxyfurost-20(22)-én-26-yle [French] [ACD/IUPAC Name]
β-D-Allopyranoside, (2β,3β,5β,8ξ,9ξ,14ξ,16ξ,17ξ)-3-[(2-O-β-D-allopyranosyl-β-D-gulopyranosyl)oxy]-2-hydroxyfurost-20(22)-en-26-yl [ACD/Index Name]
Macrostemonoside L

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 1051.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 174.2±6.0 kJ/mol
Flash Point: 589.7±34.3 °C
Index of Refraction: 1.634
Molar Refractivity: 223.6±0.4 cm3
#H bond acceptors: 19
#H bond donors: 12
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 0.72
ACD/LogD (pH 5.5): 0.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 32.09
ACD/LogD (pH 7.4): 0.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 32.09
Polar Surface Area: 307 Å2
Polarizability: 88.7±0.5 10-24cm3
Surface Tension: 79.5±5.0 dyne/cm
Molar Volume: 625.4±5.0 cm3

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