ChemSpider 2D Image | (2alpha,3beta,5alpha,25R)-26-(beta-D-Glucopyranosyloxy)-2-hydroxyfurost-20(22)-en-3-yl 6-O-beta-D-ribopyranosyl-beta-D-allopyranoside | C44H72O18

(2α,3β,5α,25R)-26-(β-D-Glucopyranosyloxy)-2-hydroxyfurost-20(22)-en-3-yl 6-O-β-D-ribopyranosyl-β-D-allopyranoside

  • Molecular FormulaC44H72O18
  • Average mass889.032 Da
  • Monoisotopic mass888.471863 Da
  • ChemSpider ID4885309

  • defined stereocentres - 25 of 25 defined stereocentres

More details:

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

(2α,3β,5α,25R)-26-(β-D-Glucopyranosyloxy)-2-hydroxyfurost-20(22)-en-3-yl 6-O-β-D-ribopyranosyl-β-D-allopyranoside [ACD/IUPAC Name]
(2α,3β,5α,25R)-26-(β-D-Glucopyranosyloxy)-2-hydroxyfurost-20(22)-en-3-yl-6-O-β-D-ribopyranosyl-β-D-allopyranosid [German] [ACD/IUPAC Name]
6-O-β-D-Ribopyranosyl-β-D-allopyranoside de (2α,3β,5α,25R)-26-(β-D-glucopyranosyloxy)-2-hydroxyfurost-20(22)-én-3-yle [French] [ACD/IUPAC Name]
β-D-Allopyranoside, (2α,3β,5α,25R)-26-(β-D-glucopyranosyloxy)-2-hydroxyfurost-20(22)-en-3-yl 6-O-β-D-ribopyranosyl- [ACD/Index Name]
Trigoneoside VIII

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

Density: 1.5±0.1 g/cm3
Boiling Point: 1017.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 168.2±6.0 kJ/mol
Flash Point: 569.0±34.3 °C
Index of Refraction: 1.629
Molar Refractivity: 217.5±0.4 cm3
#H bond acceptors: 18
#H bond donors: 11
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 2.89
ACD/LogD (pH 5.5): 1.56
ACD/BCF (pH 5.5): 9.03
ACD/KOC (pH 5.5): 168.04
ACD/LogD (pH 7.4): 1.56
ACD/BCF (pH 7.4): 9.03
ACD/KOC (pH 7.4): 168.04
Polar Surface Area: 287 Å2
Polarizability: 86.2±0.5 10-24cm3
Surface Tension: 77.1±5.0 dyne/cm
Molar Volume: 611.7±5.0 cm3

Click to predict properties on the Chemicalize site


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