ChemSpider 2D Image | (1alpha,3beta,7beta,8alpha,9beta,24S)-1,3,7,24-Tetrahydroxy-9,19-cyclolanostan-25-yl 4-O-{4-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-beta-D-xylopyranosyl}-beta-D-glucopyranos ide | C46H78O18

(1α,3β,7β,8α,9β,24S)-1,3,7,24-Tetrahydroxy-9,19-cyclolanostan-25-yl 4-O-{4-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-β-D-xylopyranosyl}-β-D-glucopyranos ide

  • Molecular FormulaC46H78O18
  • Average mass919.101 Da
  • Monoisotopic mass918.518799 Da
  • ChemSpider ID9150257

  • defined stereocentres - 24 of 24 defined stereocentres

More details:

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

(1α,3β,7β,8α,9β,24S)-1,3,7,24-Tetrahydroxy-9,19-cyclolanostan-25-yl 4-O-{4-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-β-D-xylopyranosyl}-β-D-glucopyranos ide [ACD/IUPAC Name]
(1α,3β,7β,8α,9β,24S)-1,3,7,24-Tetrahydroxy-9,19-cyclolanostan-25-yl-4-O-{4-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-β-D-xylopyranosyl}-β-D-glucopyranos id [German] [ACD/IUPAC Name]
4-O-{4-O-[(2S,3R,4R)-3,4-Dihydroxy-4-(hydroxyméthyl)tétrahydro-2-furanyl]-β-D-xylopyranosyl}-β-D-glucopyranoside de (1α,3β,7β,8α,9β,24S)-1,3,7,24-tétrahydroxy-9,19-cyclolanostan -25-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (1α,3β,7β,8α,9β,24S)-1,3,7,24-tetrahydroxy-9,19-cyclolanostan-25-yl 4-O-[4-O-[(2S,3R,4R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]-β-D-xylopyran osyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 1045.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 173.1±6.0 kJ/mol
Flash Point: 586.0±34.3 °C
Index of Refraction: 1.627
Molar Refractivity: 227.2±0.4 cm3
#H bond acceptors: 18
#H bond donors: 12
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 1.86
ACD/LogD (pH 5.5): 0.55
ACD/BCF (pH 5.5): 1.55
ACD/KOC (pH 5.5): 47.54
ACD/LogD (pH 7.4): 0.55
ACD/BCF (pH 7.4): 1.55
ACD/KOC (pH 7.4): 47.54
Polar Surface Area: 298 Å2
Polarizability: 90.1±0.5 10-24cm3
Surface Tension: 76.8±5.0 dyne/cm
Molar Volume: 641.4±5.0 cm3

Click to predict properties on the Chemicalize site


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