Found 44 results

Search term: C36H54O12 (Found by molecular formula)
ChemSpider 2D Image | (1alpha,3beta,22R)-3-(beta-D-Glucopyranosyloxy)-14,20-dihydroxy-26-oxo-22,26-epoxyergosta-5,24-dien-1-yl acetate | C36H54O12

(1α,3β,22R)-3-(β-D-Glucopyranosyloxy)-14,20-dihydroxy-26-oxo-22,26-epoxyergosta-5,24-dien-1-yl acetate

  • Molecular FormulaC36H54O12
  • Average mass678.807 Da
  • Monoisotopic mass678.361511 Da
  • ChemSpider ID8946127

  • defined stereocentres - 15 of 15 defined stereocentres

More details:

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

(1α,3β,22R)-3-(β-D-Glucopyranosyloxy)-14,20-dihydroxy-26-oxo-22,26-epoxyergosta-5,24-dien-1-yl acetate [ACD/IUPAC Name]
(1α,3β,22R)-3-(β-D-Glucopyranosyloxy)-14,20-dihydroxy-26-oxo-22,26-epoxyergosta-5,24-dien-1-yl-acetat [German] [ACD/IUPAC Name]
227179-07-9 [RN]
Acétate de (1α,3β,22R)-3-(β-D-glucopyranosyloxy)-14,20-dihydroxy-26-oxo-22,26-époxyergosta-5,24-dién-1-yle [French] [ACD/IUPAC Name]
Ergosta-5,24-dien-26-one, 1-(acetyloxy)-22,26-epoxy-3-(β-D-glucopyranosyloxy)-14,20-dihydroxy-, (1α,3β,22R)- [ACD/Index 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: 826.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 136.7±6.0 kJ/mol
Flash Point: 253.4±27.8 °C
Index of Refraction: 1.606
Molar Refractivity: 171.8±0.4 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 1.08
ACD/LogD (pH 5.5): 1.63
ACD/BCF (pH 5.5): 10.24
ACD/KOC (pH 5.5): 183.99
ACD/LogD (pH 7.4): 1.63
ACD/BCF (pH 7.4): 10.24
ACD/KOC (pH 7.4): 183.98
Polar Surface Area: 192 Å2
Polarizability: 68.1±0.5 10-24cm3
Surface Tension: 65.3±5.0 dyne/cm
Molar Volume: 498.2±5.0 cm3

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