ChemSpider 2D Image | Gmelinoside B | C34H42O17

Gmelinoside B

  • Molecular FormulaC34H42O17
  • Average mass722.687 Da
  • Monoisotopic mass722.242188 Da
  • ChemSpider ID10269423

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 16 of 16 defined stereocentres

More details:

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

(2E)-3-Phénylacrylate de [(1aS,1bS,2S,5aR,6S,6aS)-6-[(2,3-di-O-acétyl-6-désoxy-α-L-mannopyranosyl)oxy]-2-(β-D-glucopyranosyloxy)-1b,5a,6,6a-tétrahydrooxiréno[4,5]cyclopenta[1,2-c]pyran-1a(2H)-y l]méthyle [French] [ACD/IUPAC Name]
[(1aS,1bS,2S,5aR,6S,6aS)-6-[(2,3-Di-O-acetyl-6-deoxy-α-L-mannopyranosyl)oxy]-2-(β-D-glucopyranosyloxy)-1b,5a,6,6a-tetrahydrooxireno[4,5]cyclopenta[1,2-c]pyran-1a(2H)-yl]methyl (2E)-3-phenylacry late [ACD/IUPAC Name]
[(1aS,1bS,2S,5aR,6S,6aS)-6-[(2,3-Di-O-acetyl-6-deoxy-α-L-mannopyranosyl)oxy]-2-(β-D-glucopyranosyloxy)-1b,5a,6,6a-tetrahydrooxireno[4,5]cyclopenta[1,2-c]pyran-1a(2H)-yl]methyl (2E)-3-phenylacrylate
[(1aS,1bS,2S,5aR,6S,6aS)-6-[(2,3-Di-O-acetyl-6-desoxy-α-L-mannopyranosyl)oxy]-2-(β-D-glucopyranosyloxy)-1b,5a,6,6a-tetrahydrooxireno[4,5]cyclopenta[1,2-c]pyran-1a(2H)-yl]methyl-(2E)-3-phenylacr ylat [German] [ACD/IUPAC Name]
2-Propenoic acid, 3-phenyl-, [(1aS,1bS,2S,5aR,6S,6aS)-6-[(2,3-di-O-acetyl-6-deoxy-α-L-mannopyranosyl)oxy]-2-(β-D-glucopyranosyloxy)-1b,5a,6,6a-tetrahydrooxireno[4,5]cyclopenta[1,2-c]pyran-1a(2H )-yl]methyl ester, (2E)- [ACD/Index Name]
2-propenoic acid, 3-phenyl-, [(1aS,1bS,2S,5aR,6S,6aS)-6-[(2,3-di-O-acetyl-6-deoxy-α-L-mannopyranosyl)oxy]-2-(β-D-glucopyranosyloxy)-1b,5a,6,6a-tetrahydrooxireno[4,5]cyclopenta[1,2-c]pyran-1a(2H)-yl]methyl ester, (2E)-
Gmelinoside B

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

Density: 1.5±0.1 g/cm3
Boiling Point: 888.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 135.3±3.0 kJ/mol
Flash Point: 277.5±27.8 °C
Index of Refraction: 1.628
Molar Refractivity: 169.4±0.4 cm3
#H bond acceptors: 17
#H bond donors: 5
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: -1.20
ACD/LogD (pH 5.5): -0.79
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.86
ACD/LogD (pH 7.4): -0.79
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.86
Polar Surface Area: 239 Å2
Polarizability: 67.2±0.5 10-24cm3
Surface Tension: 74.5±5.0 dyne/cm
Molar Volume: 477.4±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement