ChemSpider 2D Image | (4aS,5R,6S)-1-Oxo-5-vinyl-4,4a,5,6-tetrahydro-1H,3H-pyrano[3,4-c]pyran-6-yl 6-O-beta-D-glucopyranosyl-beta-D-glucopyranoside | C22H32O14

(4aS,5R,6S)-1-Oxo-5-vinyl-4,4a,5,6-tetrahydro-1H,3H-pyrano[3,4-c]pyran-6-yl 6-O-β-D-glucopyranosyl-β-D-glucopyranoside

  • Molecular FormulaC22H32O14
  • Average mass520.481 Da
  • Monoisotopic mass520.179199 Da
  • ChemSpider ID167075
  • defined stereocentres - 13 of 13 defined stereocentres


More details:






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

(4aS,5R,6S)-1-Oxo-5-vinyl-4,4a,5,6-tetrahydro-1H,3H-pyrano[3,4-c]pyran-6-yl 6-O-β-D-glucopyranosyl-β-D-glucopyranoside [ACD/IUPAC Name]
(4aS,5R,6S)-1-Oxo-5-vinyl-4,4a,5,6-tetrahydro-1H,3H-pyrano[3,4-c]pyran-6-yl-6-O-β-D-glucopyranosyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
1H,3H-Pyrano[3,4-c]pyran-1-one, 5-ethenyl-6-[(6-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-4,4a,5,6-tetrahydro-, (4aS,5R,6S)- [ACD/Index Name]
6-O-β-D-Glucopyranosyl-β-D-glucopyranoside de (4aS,5R,6S)-1-oxo-5-vinyl-4,4a,5,6-tétrahydro-1H,3H-pyrano[3,4-c]pyran-6-yle [French] [ACD/IUPAC Name]
151140-40-8 [RN]
18211-41-1 [RN]
1H,3H-Pyrano(3,4-c)pyran-1-one, 5-ethenyl-6-((6-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy)-4,4a,5,6-tetrahydro-, (4aS-(4aα,5β,6α))-
2-(4-nitrophenyl)benzoic acid
6'-O-Glucopyranosylsweroside
Swertiapunimarin

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 827.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 136.9±6.0 kJ/mol
Flash Point: 282.3±27.8 °C
Index of Refraction: 1.633
Molar Refractivity: 116.2±0.4 cm3
#H bond acceptors: 14
#H bond donors: 7
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: -2.51
ACD/LogD (pH 5.5): -2.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.55
ACD/LogD (pH 7.4): -2.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.55
Polar Surface Area: 214 Å2
Polarizability: 46.1±0.5 10-24cm3
Surface Tension: 84.5±5.0 dyne/cm
Molar Volume: 325.3±5.0 cm3

Click to predict properties on the Chemicalize site






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