ChemSpider 2D Image | (8xi,9xi,14xi,16xi,17xi)-3-{[2-O-(alpha-D-Gulopyranosyl)-beta-D-gulopyranosyl]oxy}-22-hydroxyfurost-25-en-27-yl alpha-D-allopyranoside | C45H74O19

(8ξ,9ξ,14ξ,16ξ,17ξ)-3-{[2-O-(α-D-Gulopyranosyl)-β-D-gulopyranosyl]oxy}-22-hydroxyfurost-25-en-27-yl α-D-allopyranoside

  • Molecular FormulaC45H74O19
  • Average mass919.058 Da
  • Monoisotopic mass918.482422 Da
  • ChemSpider ID28284301

  • defined stereocentres - 18 of 26 defined stereocentres

More details:

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(8ξ,9ξ,14ξ,16ξ,17ξ)-3-{[2-O-(α-D-Gulopyranosyl)-β-D-gulopyranosyl]oxy}-22-hydroxyfurost-25-en-27-yl α-D-allopyranoside [ACD/IUPAC Name]
(8ξ,9ξ,14ξ,16ξ,17ξ)-3-{[2-O-(α-D-Gulopyranosyl)-β-D-gulopyranosyl]oxy}-22-hydroxyfurost-25-en-27-yl-α-D-allopyranosid [German] [ACD/IUPAC Name]
α-D-Allopyranoside de (8ξ,9ξ,14ξ,16ξ,17ξ)-3-{[2-O-(α-D-gulopyranosyl)-β-D-gulopyranosyl]oxy}-22-hydroxyfurost-25-én-27-yle [French] [ACD/IUPAC Name]
α-D-Allopyranoside, (8ξ,9ξ,14ξ,16ξ,17ξ,22ξ)-3-[(2-O-α-D-gulopyranosyl-β-D-gulopyranosyl)oxy]-22-hydroxyfurost-25-en-27-yl [ACD/Index Name]
macrostemonoside O

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

Density: 1.5±0.1 g/cm3
Boiling Point: 1042.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 172.6±6.0 kJ/mol
Flash Point: 584.2±34.3 °C
Index of Refraction: 1.632
Molar Refractivity: 223.8±0.4 cm3
#H bond acceptors: 19
#H bond donors: 12
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 0.45
ACD/LogD (pH 5.5): -0.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 15.59
ACD/LogD (pH 7.4): -0.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 15.59
Polar Surface Area: 307 Å2
Polarizability: 88.7±0.5 10-24cm3
Surface Tension: 79.2±5.0 dyne/cm
Molar Volume: 627.3±5.0 cm3

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