ChemSpider 2D Image | Methyl (2S,3R,4S)-4-{[(2r,4R,5S)-4,5-dimethyl-1,3-dioxolan-2-yl]methyl}-2-(beta-D-glucopyranosyloxy)-3-vinyl-3,4-dihydro-2H-pyran-5-carboxylate | C21H32O11

Methyl (2S,3R,4S)-4-{[(2r,4R,5S)-4,5-dimethyl-1,3-dioxolan-2-yl]methyl}-2-(β-D-glucopyranosyloxy)-3-vinyl-3,4-dihydro-2H-pyran-5-carboxylate

  • Molecular FormulaC21H32O11
  • Average mass460.472 Da
  • Monoisotopic mass460.194458 Da
  • ChemSpider ID20057746

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(2S,3R,4S)-4-{[(2r,4R,5S)-4,5-Diméthyl-1,3-dioxolan-2-yl]méthyl}-2-(β-D-glucopyranosyloxy)-3-vinyl-3,4-dihydro-2H-pyrane-5-carboxylate de méthyle [French] [ACD/IUPAC Name]
2H-Pyran-5-carboxylic acid, 4-[[(2β,4α,5α)-4,5-dimethyl-1,3-dioxolan-2-yl]methyl]-3-ethenyl-2-(β-D-glucopyranosyloxy)-3,4-dihydro-, methyl ester, (2S,3R,4S)- [ACD/Index Name]
Methyl (2S,3R,4S)-4-{[(2r,4R,5S)-4,5-dimethyl-1,3-dioxolan-2-yl]methyl}-2-(β-D-glucopyranosyloxy)-3-vinyl-3,4-dihydro-2H-pyran-5-carboxylate [ACD/IUPAC Name]
Methyl-(2S,3R,4S)-4-{[(2r,4R,5S)-4,5-dimethyl-1,3-dioxolan-2-yl]methyl}-2-(β-D-glucopyranosyloxy)-3-vinyl-3,4-dihydro-2H-pyran-5-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 617.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 105.0±6.0 kJ/mol
Flash Point: 209.0±25.0 °C
Index of Refraction: 1.565
Molar Refractivity: 109.1±0.4 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: -1.35
ACD/LogD (pH 5.5): -1.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.55
ACD/LogD (pH 7.4): -1.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.55
Polar Surface Area: 153 Å2
Polarizability: 43.2±0.5 10-24cm3
Surface Tension: 59.0±5.0 dyne/cm
Molar Volume: 335.0±5.0 cm3

Click to predict properties on the Chemicalize site


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