ChemSpider 2D Image | Methyl (19alpha,20alpha,21beta)-19-(beta-D-glucopyranosyloxy)-21-(hydroxymethyl)-16,17-didehydro-18-oxayohimban-16-carboxylate | C27H34N2O10

Methyl (19α,20α,21β)-19-(β-D-glucopyranosyloxy)-21-(hydroxymethyl)-16,17-didehydro-18-oxayohimban-16-carboxylate

  • Molecular FormulaC27H34N2O10
  • Average mass546.566 Da
  • Monoisotopic mass546.221375 Da
  • ChemSpider ID95502780

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(19α,20α,21β)-19-(β-D-Glucopyranosyloxy)-21-(hydroxyméthyl)-16,17-didéhydro-18-oxayohimban-16-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl (19α,20α,21β)-19-(β-D-glucopyranosyloxy)-21-(hydroxymethyl)-16,17-didehydro-18-oxayohimban-16-carboxylate [ACD/IUPAC Name]
Methyl-(19α,20α,21β)-19-(β-D-glucopyranosyloxy)-21-(hydroxymethyl)-16,17-didehydro-18-oxajohimban-16-carboxylat [German] [ACD/IUPAC Name]
Oxayohimban-16-carboxylic acid, 16,17-didehydro-19-(β-D-glucopyranosyloxy)-21-(hydroxymethyl)-, methyl ester, (19α,20α,21β)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 800.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.1±3.0 kJ/mol
Flash Point: 437.9±34.3 °C
Index of Refraction: 1.705
Molar Refractivity: 136.1±0.4 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: -0.32
ACD/LogD (pH 5.5): -1.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 18.03
Polar Surface Area: 174 Å2
Polarizability: 54.0±0.5 10-24cm3
Surface Tension: 88.1±5.0 dyne/cm
Molar Volume: 350.2±5.0 cm3

Click to predict properties on the Chemicalize site


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