ChemSpider 2D Image | (3beta,5alpha,6alpha,15beta,24S)-3,6,8,15-Tetrahydroxycholestan-24-yl 5-O-(2,4-di-O-methylpentopyranosyl)-alpha-L-arabinofuranoside | C39H68O13

(3β,5α,6α,15β,24S)-3,6,8,15-Tetrahydroxycholestan-24-yl 5-O-(2,4-di-O-methylpentopyranosyl)-α-L-arabinofuranoside

  • Molecular FormulaC39H68O13
  • Average mass744.949 Da
  • Monoisotopic mass744.466003 Da
  • ChemSpider ID29212834

  • defined stereocentres - 16 of 20 defined stereocentres

More details:

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

(3β,5α,6α,15β,24S)-3,6,8,15-Tetrahydroxycholestan-24-yl 5-O-(2,4-di-O-methylpentopyranosyl)-α-L-arabinofuranoside [ACD/IUPAC Name]
(3β,5α,6α,15β,24S)-3,6,8,15-Tetrahydroxycholestan-24-yl-5-O-(2,4-di-O-methylpentopyranosyl)-α-L-arabinofuranosid [German] [ACD/IUPAC Name]
5-O-(2,4-Di-O-méthylpentopyranosyl)-α-L-arabinofuranoside de (3β,5α,6α,15β,24S)-3,6,8,15-tétrahydroxycholestan-24-yle [French] [ACD/IUPAC Name]
α-L-Arabinofuranoside, (3β,5α,6α,15β,24S)-3,6,8,15-tetrahydroxycholestan-24-yl 5-O-(2,4-di-O-methylpentopyranosyl)- [ACD/Index Name]
mediasteroside M3

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

Density: 1.3±0.1 g/cm3
Boiling Point: 856.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 141.4±6.0 kJ/mol
Flash Point: 471.5±34.3 °C
Index of Refraction: 1.574
Molar Refractivity: 191.2±0.4 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 3.33
ACD/LogD (pH 5.5): 2.59
ACD/BCF (pH 5.5): 55.10
ACD/KOC (pH 5.5): 613.66
ACD/LogD (pH 7.4): 2.59
ACD/BCF (pH 7.4): 55.10
ACD/KOC (pH 7.4): 613.66
Polar Surface Area: 197 Å2
Polarizability: 75.8±0.5 10-24cm3
Surface Tension: 59.5±5.0 dyne/cm
Molar Volume: 579.4±5.0 cm3

Click to predict properties on the Chemicalize site


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