Found 15 results

Search term: MF = 'C_{36}H_{50}O_{14}'
ChemSpider 2D Image | (5alpha,6beta,15alpha,22R)-28-(beta-D-Glucopyranosyloxy)-5,6,14-trihydroxy-1,26-dioxo-22,26-epoxyergosta-2,16,24-trien-15-yl acetate | C36H50O14

(5α,6β,15α,22R)-28-(β-D-Glucopyranosyloxy)-5,6,14-trihydroxy-1,26-dioxo-22,26-epoxyergosta-2,16,24-trien-15-yl acetate

  • Molecular FormulaC36H50O14
  • Average mass706.774 Da
  • Monoisotopic mass706.320068 Da
  • ChemSpider ID8185572

  • defined stereocentres - 15 of 15 defined stereocentres

More details:

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

(5α,6β,15α,22R)-28-(β-D-Glucopyranosyloxy)-5,6,14-trihydroxy-1,26-dioxo-22,26-epoxyergosta-2,16,24-trien-15-yl acetate [ACD/IUPAC Name]
(5α,6β,15α,22R)-28-(β-D-Glucopyranosyloxy)-5,6,14-trihydroxy-1,26-dioxo-22,26-epoxyergosta-2,16,24-trien-15-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (5α,6β,15α,22R)-28-(β-D-glucopyranosyloxy)-5,6,14-trihydroxy-1,26-dioxo-22,26-époxyergosta-2,16,24-trién-15-yle [French] [ACD/IUPAC Name]
Ergosta-2,16,24-triene-1,26-dione, 15-(acetyloxy)-22,26-epoxy-28-(β-D-glucopyranosyloxy)-5,6,14-trihydroxy-, (5α,6β,15α,22R)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 875.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 144.5±6.0 kJ/mol
Flash Point: 269.7±27.8 °C
Index of Refraction: 1.633
Molar Refractivity: 173.4±0.4 cm3
#H bond acceptors: 14
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -1.38
ACD/LogD (pH 5.5): -0.70
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.89
ACD/LogD (pH 7.4): -0.70
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 9.89
Polar Surface Area: 230 Å2
Polarizability: 68.7±0.5 10-24cm3
Surface Tension: 74.4±5.0 dyne/cm
Molar Volume: 485.4±5.0 cm3

Click to predict properties on the Chemicalize site


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