Found 15 results

Search term: MF = 'C_{36}H_{50}O_{14}'
ChemSpider 2D Image | Methyl 1,2-O-(1-{[(3alpha)-21-acetoxy-11,20-dioxopregnan-3-yl]oxy}ethylidene)-3,4-di-O-acetyl-alpha-D-glucopyranuronate | C36H50O14

Methyl 1,2-O-(1-{[(3α)-21-acetoxy-11,20-dioxopregnan-3-yl]oxy}ethylidene)-3,4-di-O-acetyl-α-D-glucopyranuronate

  • Molecular FormulaC36H50O14
  • Average mass706.774 Da
  • Monoisotopic mass706.320068 Da
  • ChemSpider ID22889828

  • defined stereocentres - 6 of 14 defined stereocentres

More details:

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

1,2-O-(1-{[(3α)-21-Acétoxy-11,20-dioxoprégnan-3-yl]oxy}éthylidène)-3,4-di-O-acétyl-α-D-glucopyranuronate de méthyle [French] [ACD/IUPAC Name]
Methyl 1,2-O-(1-{[(3α)-21-acetoxy-11,20-dioxopregnan-3-yl]oxy}ethylidene)-3,4-di-O-acetyl-α-D-glucopyranuronate [ACD/IUPAC Name]
Methyl-1,2-O-(1-{[(3α)-21-acetoxy-11,20-dioxopregnan-3-yl]oxy}ethyliden)-3,4-di-O-acetyl-α-D-glucopyranuronat [German] [ACD/IUPAC Name]
α-D-Glucopyranuronic acid, 1,2-O-[1-[[(3α)-21-(acetyloxy)-11,20-dioxopregnan-3-yl]oxy]ethylidene]-, methyl ester, diacetate [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 724.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 105.8±3.0 kJ/mol
Flash Point: 293.8±32.9 °C
Index of Refraction: 1.547
Molar Refractivity: 170.9±0.4 cm3
#H bond acceptors: 14
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 6.74
ACD/LogD (pH 5.5): 5.08
ACD/BCF (pH 5.5): 4256.28
ACD/KOC (pH 5.5): 13780.12
ACD/LogD (pH 7.4): 5.08
ACD/BCF (pH 7.4): 4256.28
ACD/KOC (pH 7.4): 13780.12
Polar Surface Area: 176 Å2
Polarizability: 67.8±0.5 10-24cm3
Surface Tension: 53.2±5.0 dyne/cm
Molar Volume: 539.0±5.0 cm3

Click to predict properties on the Chemicalize site


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