ChemSpider 2D Image | Secologanol | C17H26O10

Secologanol

  • Molecular FormulaC17H26O10
  • Average mass390.382 Da
  • Monoisotopic mass390.152588 Da
  • ChemSpider ID29814929

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(2S,3R,4S)-2-(β-D-Glucopyranosyloxy)-4-(2-hydroxyéthyl)-3-vinyl-3,4-dihydro-2H-pyrane-5-carboxylate de méthyle [French] [ACD/IUPAC Name]
2H-Pyran-5-carboxylic acid, 3-ethenyl-2-(β-D-glucopyranosyloxy)-3,4-dihydro-4-(2-hydroxyethyl)-, methyl ester, (2S,3R,4S)- [ACD/Index Name]
Methyl (2S,3R,4S)-2-(β-D-glucopyranosyloxy)-4-(2-hydroxyethyl)-3-vinyl-3,4-dihydro-2H-pyran-5-carboxylate [ACD/IUPAC Name]
Methyl-(2S,3R,4S)-2-(β-D-glucopyranosyloxy)-4-(2-hydroxyethyl)-3-vinyl-3,4-dihydro-2H-pyran-5-carboxylat [German] [ACD/IUPAC Name]
Secologanol

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

Density: 1.4±0.1 g/cm3
Boiling Point: 598.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 102.3±6.0 kJ/mol
Flash Point: 212.4±23.6 °C
Index of Refraction: 1.580
Molar Refractivity: 90.7±0.4 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: -2.57
ACD/LogD (pH 5.5): -1.95
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.07
ACD/LogD (pH 7.4): -1.95
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.07
Polar Surface Area: 155 Å2
Polarizability: 36.0±0.5 10-24cm3
Surface Tension: 67.0±5.0 dyne/cm
Molar Volume: 272.7±5.0 cm3

Click to predict properties on the Chemicalize site


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