ChemSpider 2D Image | (5R,6S)-1-Oxo-5-vinyl-5,6-dihydro-1H,3H-pyrano[3,4-c]pyran-6-yl 6-O-beta-D-glucopyranosyl-beta-D-glucopyranoside | C22H30O14

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

  • Molecular FormulaC22H30O14
  • Average mass518.465 Da
  • Monoisotopic mass518.163574 Da
  • ChemSpider ID9039519

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(5R,6S)-1-Oxo-5-vinyl-5,6-dihydro-1H,3H-pyrano[3,4-c]pyran-6-yl 6-O-β-D-glucopyranosyl-β-D-glucopyranoside [ACD/IUPAC Name]
(5R,6S)-1-Oxo-5-vinyl-5,6-dihydro-1H,3H-pyrano[3,4-c]pyran-6-yl-6-O-β-D-glucopyranosyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
115713-06-9 [RN]
1H,3H-Pyrano[3,4-c]pyran-1-one, 5-ethenyl-6-[(6-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-5,6-dihydro-, (5R,6S)- [ACD/Index Name]
6-O-β-D-Glucopyranosyl-β-D-glucopyranoside de (5R,6S)-1-oxo-5-vinyl-5,6-dihydro-1H,3H-pyrano[3,4-c]pyran-6-yle [French] [ACD/IUPAC Name]
(5R,?6S)?-5-?ethenyl-?6-?[(6-?O-??-?D-?glucopyranosyl-??-?D-?glucopyranosyl)?oxy]?-?5,?6-?dihydro-?1H,?3H-?Pyrano[3,?4-?c]?pyran-?1-?one
(5R,6S)-6-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-((((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)-5-vinyl-5,6-dihydro-1H,3H-pyrano[3,4-c]pyran-1-one
6/'-O-β-D-Glucosylgentiopicroside
6'-O-β-D-Glucosylgentiopicroside
MFCD29049471

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

Density: 1.6±0.1 g/cm3
Boiling Point: 860.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 142.1±6.0 kJ/mol
Flash Point: 294.4±27.8 °C
Index of Refraction: 1.650
Molar Refractivity: 115.9±0.4 cm3
#H bond acceptors: 14
#H bond donors: 7
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: -2.83
ACD/LogD (pH 5.5): -2.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.13
ACD/LogD (pH 7.4): -2.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.13
Polar Surface Area: 214 Å2
Polarizability: 46.0±0.5 10-24cm3
Surface Tension: 87.5±5.0 dyne/cm
Molar Volume: 317.9±5.0 cm3

Click to predict properties on the Chemicalize site


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