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Search term: WAQCRPPEESZBBB (Found by InChIKey (skeleton match))

ChemSpider 2D Image | Methyl 3-(beta-D-allopyranosyloxy)chol-5-en-24-oate | C31H50O8

Methyl 3-(β-D-allopyranosyloxy)chol-5-en-24-oate

  • Molecular FormulaC31H50O8
  • Average mass550.724 Da
  • Monoisotopic mass550.350586 Da
  • ChemSpider ID4475969
  • defined stereocentres - 5 of 13 defined stereocentres


More details:






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

3-(β-D-Allopyranosyloxy)chol-5-én-24-oate de méthyle [French] [ACD/IUPAC Name]
Chol-5-en-24-oic acid, 3-(β-D-allopyranosyloxy)-, methyl ester [ACD/Index Name]
Methyl 3-(β-D-allopyranosyloxy)chol-5-en-24-oate [ACD/IUPAC Name]
Methyl-3-(β-D-allopyranosyloxy)chol-5-en-24-oat [German] [ACD/IUPAC Name]
5-Ene-methyl-cholate-3-O-β-D-glucopyranoside

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

Density: 1.2±0.1 g/cm3
Boiling Point: 665.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 112.0±6.0 kJ/mol
Flash Point: 207.5±25.0 °C
Index of Refraction: 1.570
Molar Refractivity: 146.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.85
ACD/LogD (pH 5.5): 4.11
ACD/BCF (pH 5.5): 780.16
ACD/KOC (pH 5.5): 4090.98
ACD/LogD (pH 7.4): 4.11
ACD/BCF (pH 7.4): 780.16
ACD/KOC (pH 7.4): 4090.96
Polar Surface Area: 126 Å2
Polarizability: 58.0±0.5 10-24cm3
Surface Tension: 54.7±5.0 dyne/cm
Molar Volume: 446.0±5.0 cm3

Click to predict properties on the Chemicalize site






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