ChemSpider 2D Image | 2-Methyl-4-oxo-4H-pyran-3-yl 6-O-[(2E)-3-{4-[(6-deoxy-alpha-L-mannopyranosyl)oxy]phenyl}-2-propenoyl]-beta-D-glucopyranoside | C27H32O14

2-Methyl-4-oxo-4H-pyran-3-yl 6-O-[(2E)-3-{4-[(6-deoxy-α-L-mannopyranosyl)oxy]phenyl}-2-propenoyl]-β-D-glucopyranoside

  • Molecular FormulaC27H32O14
  • Average mass580.535 Da
  • Monoisotopic mass580.179199 Da
  • ChemSpider ID84487455

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 10 defined stereocentres

More details:

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

2-Methyl-4-oxo-4H-pyran-3-yl 6-O-[(2E)-3-{4-[(6-deoxy-α-L-mannopyranosyl)oxy]phenyl}-2-propenoyl]-β-D-glucopyranoside [ACD/IUPAC Name]
2-Methyl-4-oxo-4H-pyran-3-yl-6-O-[(2E)-3-{4-[(6-desoxy-α-L-mannopyranosyl)oxy]phenyl}-2-propenoyl]-β-D-glucopyranosid [German] [ACD/IUPAC Name]
4H-Pyran-4-one, 3-[[6-O-[(2E)-3-[4-[(6-deoxy-α-L-mannopyranosyl)oxy]phenyl]-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]oxy]-2-methyl- [ACD/Index Name]
6-O-[(2E)-3-{4-[(6-Désoxy-α-L-mannopyranosyl)oxy]phényl}-2-propenoyl]-β-D-glucopyranoside de 2-méthyl-4-oxo-4H-pyran-3-yle [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 897.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 136.6±3.0 kJ/mol
Flash Point: 296.9±27.8 °C
Index of Refraction: 1.651
Molar Refractivity: 136.8±0.4 cm3
#H bond acceptors: 14
#H bond donors: 6
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 1.02
ACD/LogD (pH 5.5): -0.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 13.66
ACD/LogD (pH 7.4): -0.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 13.66
Polar Surface Area: 211 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 81.0±5.0 dyne/cm
Molar Volume: 374.7±5.0 cm3

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