ChemSpider 2D Image | (1S,3R,5S,7R,10S,24S)-1,3,24-Trihydroxy-4,4,14-trimethyl-7,10-epoxy-9,19-cyclo-9,10-secocholest-9(11)-en-25-yl beta-D-glucopyranoside | C36H60O10

(1S,3R,5S,7R,10S,24S)-1,3,24-Trihydroxy-4,4,14-trimethyl-7,10-epoxy-9,19-cyclo-9,10-secocholest-9(11)-en-25-yl β-D-glucopyranoside

  • Molecular FormulaC36H60O10
  • Average mass652.856 Da
  • Monoisotopic mass652.418640 Da
  • ChemSpider ID57641790
  • defined stereocentres - 16 of 16 defined stereocentres


More details:






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

(1S,3R,5S,7R,10S,24S)-1,3,24-Trihydroxy-4,4,14-trimethyl-7,10-epoxy-9,19-cyclo-9,10-secocholest-9(11)-en-25-yl β-D-glucopyranoside [ACD/IUPAC Name]
(1S,3R,5S,7R,10S,24S)-1,3,24-Trihydroxy-4,4,14-trimethyl-7,10-epoxy-9,19-cyclo-9,10-secocholest-9(11)-en-25-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside de (1S,3R,5S,7R,10S,24S)-1,3,24-trihydroxy-4,4,14-triméthyl-7,10-époxy-9,19-cyclo-9,10-sécocholest-9(11)-én-25-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (2S,5R)-2-hydroxy-1,1-dimethyl-5-[(3R,3aR,6aS,7S,9R,10aS,12R,12aR,12bS)-2,3,3a,4,6,7,8,9,10,10a,11,12,12a,12b-tetradecahydro-7,9-dihydroxy-3a,10,10,12b-tetramethyl-1H-6a,12-epo xybenzo[4,5]cyclohept[1,2-e]inden-3-yl]hexyl [ACD/Index Name]
1055329-46-8 [RN]
SUTHERLANDIOSIDE A

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

Density: 1.3±0.1 g/cm3
Boiling Point: 798.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.4 mmHg at 25°C
Enthalpy of Vaporization: 132.3±6.0 kJ/mol
Flash Point: 436.9±32.9 °C
Index of Refraction: 1.597
Molar Refractivity: 171.9±0.4 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 2.69
ACD/LogD (pH 5.5): 2.96
ACD/BCF (pH 5.5): 104.32
ACD/KOC (pH 5.5): 969.06
ACD/LogD (pH 7.4): 2.96
ACD/BCF (pH 7.4): 104.32
ACD/KOC (pH 7.4): 969.06
Polar Surface Area: 169 Å2
Polarizability: 68.1±0.5 10-24cm3
Surface Tension: 61.7±5.0 dyne/cm
Molar Volume: 504.6±5.0 cm3

Click to predict properties on the Chemicalize site






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