ChemSpider 2D Image | (3beta,5xi,6alpha,9beta,16beta,24R)-6,24,25-Trihydroxy-3-(beta-D-xylopyranosyloxy)-9,19-cyclolanostan-16-yl beta-D-glucopyranoside | C41H70O14

(3β,5ξ,6α,9β,16β,24R)-6,24,25-Trihydroxy-3-(β-D-xylopyranosyloxy)-9,19-cyclolanostan-16-yl β-D-glucopyranoside

  • Molecular FormulaC41H70O14
  • Average mass786.986 Da
  • Monoisotopic mass786.476563 Da
  • ChemSpider ID17467324
  • defined stereocentres - 20 of 21 defined stereocentres


More details:






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

(3β,5ξ,6α,9β,16β,24R)-6,24,25-Trihydroxy-3-(β-D-xylopyranosyloxy)-9,19-cyclolanostan-16-yl β-D-glucopyranoside [ACD/IUPAC Name]
(3β,5ξ,6α,9β,16β,24R)-6,24,25-Trihydroxy-3-(β-D-xylopyranosyloxy)-9,19-cyclolanostan-16-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside de (3β,5ξ,6α,9β,16β,24R)-6,24,25-trihydroxy-3-(β-D-xylopyranosyloxy)-9,19-cyclolanostan-16-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (3β,5ξ,6α,9β,16β,24R)-6,24,25-trihydroxy-3-(β-D-xylopyranosyloxy)-9,19-cyclolanostan-16-yl [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 910.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 150.3±6.0 kJ/mol
Flash Point: 504.4±34.3 °C
Index of Refraction: 1.614
Molar Refractivity: 199.6±0.4 cm3
#H bond acceptors: 14
#H bond donors: 10
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 1.67
ACD/LogD (pH 5.5): 1.03
ACD/BCF (pH 5.5): 3.57
ACD/KOC (pH 5.5): 86.39
ACD/LogD (pH 7.4): 1.03
ACD/BCF (pH 7.4): 3.57
ACD/KOC (pH 7.4): 86.39
Polar Surface Area: 239 Å2
Polarizability: 79.1±0.5 10-24cm3
Surface Tension: 70.7±5.0 dyne/cm
Molar Volume: 572.8±5.0 cm3

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