ChemSpider 2D Image | (4aR,5R,6S)-4a-Hydroxy-1-oxo-5-vinyl-4,4a,5,6-tetrahydro-1H,3H-pyrano[3,4-c]pyran-6-yl 6-O-beta-L-xylopyranosyl-beta-L-glucopyranoside | C21H30O14

(4aR,5R,6S)-4a-Hydroxy-1-oxo-5-vinyl-4,4a,5,6-tetrahydro-1H,3H-pyrano[3,4-c]pyran-6-yl 6-O-β-L-xylopyranosyl-β-L-glucopyranoside

  • Molecular FormulaC21H30O14
  • Average mass506.454 Da
  • Monoisotopic mass506.163544 Da
  • ChemSpider ID8589289

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(4aR,5R,6S)-4a-Hydroxy-1-oxo-5-vinyl-4,4a,5,6-tetrahydro-1H,3H-pyrano[3,4-c]pyran-6-yl 6-O-β-L-xylopyranosyl-β-L-glucopyranoside [ACD/IUPAC Name]
(4aR,5R,6S)-4a-Hydroxy-1-oxo-5-vinyl-4,4a,5,6-tetrahydro-1H,3H-pyrano[3,4-c]pyran-6-yl-6-O-β-L-xylopyranosyl-β-L-glucopyranosid [German] [ACD/IUPAC Name]
1H,3H-Pyrano[3,4-c]pyran-1-one, 5-ethenyl-4,4a,5,6-tetrahydro-4a-hydroxy-6-[(6-O-β-L-xylopyranosyl-β-L-glucopyranosyl)oxy]-, (4aR,5R,6S)- [ACD/Index Name]
6-O-β-L-Xylopyranosyl-β-L-glucopyranoside de (4aR,5R,6S)-4a-hydroxy-1-oxo-5-vinyl-4,4a,5,6-tétrahydro-1H,3H-pyrano[3,4-c]pyran-6-yle [French] [ACD/IUPAC 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: 800.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.4 mmHg at 25°C
Enthalpy of Vaporization: 132.6±6.0 kJ/mol
Flash Point: 275.4±27.8 °C
Index of Refraction: 1.644
Molar Refractivity: 111.6±0.4 cm3
#H bond acceptors: 14
#H bond donors: 7
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: -0.86
ACD/LogD (pH 5.5): -1.62
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.15
ACD/LogD (pH 7.4): -1.62
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.15
Polar Surface Area: 214 Å2
Polarizability: 44.3±0.5 10-24cm3
Surface Tension: 88.7±5.0 dyne/cm
Molar Volume: 308.4±5.0 cm3

Click to predict properties on the Chemicalize site


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