ChemSpider 2D Image | (1alpha,3beta,22R,25S,26S)-1,3,25-Trihydroxy-24-methoxy-22,26-epoxyergost-5-en-26-yl beta-D-glucopyranoside | C35H58O11

(1α,3β,22R,25S,26S)-1,3,25-Trihydroxy-24-methoxy-22,26-epoxyergost-5-en-26-yl β-D-glucopyranoside

  • Molecular FormulaC35H58O11
  • Average mass654.828 Da
  • Monoisotopic mass654.397888 Da
  • ChemSpider ID8731649
  • defined stereocentres - 18 of 18 defined stereocentres


More details:






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

(1α,3β,22R,25S,26S)-1,3,25-Trihydroxy-24-methoxy-22,26-epoxyergost-5-en-26-yl β-D-glucopyranoside [ACD/IUPAC Name]
(1α,3β,22R,25S,26S)-1,3,25-Trihydroxy-24-methoxy-22,26-epoxyergost-5-en-26-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside de (1α,3β,22R,25S,26S)-1,3,25-trihydroxy-24-méthoxy-22,26-époxyergost-5-én-26-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (1α,3β,22R,25S,26S)-22,26-epoxy-1,3,25-trihydroxy-24-methoxyergost-5-en-26-yl [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 794.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.3 mmHg at 25°C
Enthalpy of Vaporization: 131.7±6.0 kJ/mol
Flash Point: 434.4±32.9 °C
Index of Refraction: 1.599
Molar Refractivity: 169.0±0.4 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 2.35
ACD/LogD (pH 5.5): 2.14
ACD/BCF (pH 5.5): 25.15
ACD/KOC (pH 5.5): 350.03
ACD/LogD (pH 7.4): 2.14
ACD/BCF (pH 7.4): 25.15
ACD/KOC (pH 7.4): 350.02
Polar Surface Area: 179 Å2
Polarizability: 67.0±0.5 10-24cm3
Surface Tension: 63.5±5.0 dyne/cm
Molar Volume: 494.7±5.0 cm3

Click to predict properties on the Chemicalize site






Advertisement