ChemSpider 2D Image | (5xi,6alpha,8xi,9xi,12alpha,14beta,17alpha,24S)-3,12,25-Trihydroxy-20,24-epoxylanostan-6-yl 2-O-beta-D-xylopyranosyl-beta-D-glucopyranoside | C41H70O14

(5ξ,6α,8ξ,9ξ,12α,14β,17α,24S)-3,12,25-Trihydroxy-20,24-epoxylanostan-6-yl 2-O-β-D-xylopyranosyl-β-D-glucopyranoside

  • Molecular FormulaC41H70O14
  • Average mass786.986 Da
  • Monoisotopic mass786.476563 Da
  • ChemSpider ID117936

  • defined stereocentres - 17 of 21 defined stereocentres

More details:

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

(5ξ,6α,8ξ,9ξ,12α,14β,17α,24S)-3,12,25-Trihydroxy-20,24-epoxylanostan-6-yl 2-O-β-D-xylopyranosyl-β-D-glucopyranoside [ACD/IUPAC Name]
(5ξ,6α,8ξ,9ξ,12α,14β,17α,24S)-3,12,25-Trihydroxy-20,24-epoxylanostan-6-yl-2-O-β-D-xylopyranosyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
2-O-β-D-Xylopyranosyl-β-D-glucopyranoside de (5ξ,6α,8ξ,9ξ,12α,14β,17α,24S)-3,12,25-trihydroxy-20,24-époxylanostan-6-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (5ξ,6α,8ξ,9ξ,12α,14β,17α,24S)-20,24-epoxy-3,12,25-trihydroxylanostan-6-yl 2-O-β-D-xylopyranosyl- [ACD/Index Name]
81534-63-6 [RN]
majonoside R 2

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

Density: 1.4±0.1 g/cm3
Boiling Point: 883.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 145.8±6.0 kJ/mol
Flash Point: 487.9±34.3 °C
Index of Refraction: 1.603
Molar Refractivity: 199.8±0.4 cm3
#H bond acceptors: 14
#H bond donors: 9
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 4.95
ACD/LogD (pH 5.5): 3.00
ACD/BCF (pH 5.5): 111.47
ACD/KOC (pH 5.5): 1015.49
ACD/LogD (pH 7.4): 3.00
ACD/BCF (pH 7.4): 111.47
ACD/KOC (pH 7.4): 1015.49
Polar Surface Area: 228 Å2
Polarizability: 79.2±0.5 10-24cm3
Surface Tension: 67.0±5.0 dyne/cm
Molar Volume: 581.6±5.0 cm3

Click to predict properties on the Chemicalize site


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