Found 1 result

Search term: QMXYKJHMLYEGKG (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (3beta,22R)-14,20,26-Trihydroxy-1,27-dioxo-22,27-epoxyergosta-5,24-dien-3-yl beta-D-glucopyranoside | C34H50O12

(3β,22R)-14,20,26-Trihydroxy-1,27-dioxo-22,27-epoxyergosta-5,24-dien-3-yl β-D-glucopyranoside

  • Molecular FormulaC34H50O12
  • Average mass650.754 Da
  • Monoisotopic mass650.330200 Da
  • ChemSpider ID8755486

  • defined stereocentres - 14 of 14 defined stereocentres

More details:

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

(3β,22R)-14,20,26-Trihydroxy-1,27-dioxo-22,27-epoxyergosta-5,24-dien-3-yl β-D-glucopyranoside [ACD/IUPAC Name]
(3β,22R)-14,20,26-Trihydroxy-1,27-dioxo-22,27-epoxyergosta-5,24-dien-3-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
Ergosta-5,24-diene-1,26-dione, 22,26-epoxy-3-(β-D-glucopyranosyloxy)-14,20,27-trihydroxy-, (3β,22R)- [ACD/Index Name]
β-D-Glucopyranoside de (3β,22R)-14,20,26-trihydroxy-1,27-dioxo-22,27-époxyergosta-5,24-dién-3-yle [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 871.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 143.8±6.0 kJ/mol
Flash Point: 273.5±27.8 °C
Index of Refraction: 1.629
Molar Refractivity: 162.4±0.4 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: -0.52
ACD/LogD (pH 5.5): 0.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 24.57
ACD/LogD (pH 7.4): 0.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 24.57
Polar Surface Area: 203 Å2
Polarizability: 64.4±0.5 10-24cm3
Surface Tension: 72.8±5.0 dyne/cm
Molar Volume: 456.8±5.0 cm3

Click to predict properties on the Chemicalize site


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