ChemSpider 2D Image | (3alpha,5beta,6beta,8alpha,10alpha,13alpha,14beta,16alpha,17alpha,20S,24R)-16,24,25-Trihydroxy-3-(beta-L-xylopyranosyloxy)-9,19-cyclolanostan-6-yl beta-L-glucopyranoside | C41H70O14

(3α,5β,6β,8α,10α,13α,14β,16α,17α,20S,24R)-16,24,25-Trihydroxy-3-(β-L-xylopyranosyloxy)-9,19-cyclolanostan-6-yl β-L-glucopyranoside

  • Molecular FormulaC41H70O14
  • Average mass786.986 Da
  • Monoisotopic mass786.476563 Da
  • ChemSpider ID82965493

  • defined stereocentres - 21 of 21 defined stereocentres

More details:

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

(3α,5β,6β,8α,10α,13α,14β,16α,17α,20S,24R)-16,24,25-Trihydroxy-3-(β-L-xylopyranosyloxy)-9,19-cyclolanostan-6-yl β-L-glucopyranoside [ACD/IUPAC Name]
(3α,5β,6β,8α,10α,13α,14β,16α,17α,20S,24R)-16,24,25-Trihydroxy-3-(β-L-xylopyranosyloxy)-9,19-cyclolanostan-6-yl-β-L-glucopyranosid [German] [ACD/IUPAC Name]
β-L-Glucopyranoside de (3α,5β,6β,8α,10α,13α,14β,16α,17α,20S,24R)-16,24,25-trihydroxy-3-(β-L-xylopyranosyloxy)-9,19-cyclolanostan-6-yle [French] [ACD/IUPAC Name]
β-L-Glucopyranoside, (3α,5β,6β,8α,10α,13α,14β,16α,17α,20S,24R)-16,24,25-trihydroxy-3-(β-L-xylopyranosyloxy)-9,19-cyclolanostan-6-yl [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: 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: 1.55
ACD/LogD (pH 5.5): 1.00
ACD/BCF (pH 5.5): 3.39
ACD/KOC (pH 5.5): 83.35
ACD/LogD (pH 7.4): 1.00
ACD/BCF (pH 7.4): 3.39
ACD/KOC (pH 7.4): 83.35
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

Click to predict properties on the Chemicalize site


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