ChemSpider 2D Image | (8xi,13xi,14xi,17xi,22S,23R,24R)-22,23,24,25-Tetrahydroxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholest-5-en-1-yl beta-D-allopyranoside | C36H62O10

(8ξ,13ξ,14ξ,17ξ,22S,23R,24R)-22,23,24,25-Tetrahydroxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholest-5-en-1-yl β-D-allopyranoside

  • Molecular FormulaC36H62O10
  • Average mass654.872 Da
  • Monoisotopic mass654.434326 Da
  • ChemSpider ID4911190
  • defined stereocentres - 9 of 16 defined stereocentres


More details:






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

(8ξ,13ξ,14ξ,17ξ,22S,23R,24R)-22,23,24,25-Tetrahydroxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholest-5-en-1-yl β-D-allopyranoside [ACD/IUPAC Name]
(8ξ,13ξ,14ξ,17ξ,22S,23R,24R)-22,23,24,25-Tetrahydroxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholest-5-en-1-yl-β-D-allopyranosid [German] [ACD/IUPAC Name]
β-D-Allopyranoside de (8ξ,13ξ,14ξ,17ξ,22S,23R,24R)-22,23,24,25-tétrahydroxy-9,10,14-triméthyl-4,9-cyclo-9,10-sécocholest-5-én-1-yle [French] [ACD/IUPAC Name]
Momorcharaside B

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

Density: 1.3±0.1 g/cm3
Boiling Point: 810.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.6 mmHg at 25°C
Enthalpy of Vaporization: 134.1±6.0 kJ/mol
Flash Point: 443.7±34.3 °C
Index of Refraction: 1.590
Molar Refractivity: 173.7±0.4 cm3
#H bond acceptors: 10
#H bond donors: 8
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 3.17
ACD/LogD (pH 5.5): 2.64
ACD/BCF (pH 5.5): 59.89
ACD/KOC (pH 5.5): 651.42
ACD/LogD (pH 7.4): 2.64
ACD/BCF (pH 7.4): 59.89
ACD/KOC (pH 7.4): 651.42
Polar Surface Area: 180 Å2
Polarizability: 68.9±0.5 10-24cm3
Surface Tension: 61.3±5.0 dyne/cm
Molar Volume: 514.7±5.0 cm3

Click to predict properties on the Chemicalize site






Advertisement