ChemSpider 2D Image | (5R)-5-[(1S,2E)-3-Carboxy-2-(3,4-dihydroxyphenyl)-1-hydroxy-2-propen-1-yl]-1-C-[(E)-2-carboxy-1-(3,4-dihydroxyphenyl)vinyl]-beta-D-xylopyranose | C24H24O14

(5R)-5-[(1S,2E)-3-Carboxy-2-(3,4-dihydroxyphenyl)-1-hydroxy-2-propen-1-yl]-1-C-[(E)-2-carboxy-1-(3,4-dihydroxyphenyl)vinyl]-β-D-xylopyranose

  • Molecular FormulaC24H24O14
  • Average mass536.439 Da
  • Monoisotopic mass536.116577 Da
  • ChemSpider ID4946572

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 6 defined stereocentres

More details:

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

(5R)-5-[(1S,2E)-3-Carboxy-2-(3,4-dihydroxyphenyl)-1-hydroxy-2-propen-1-yl]-1-C-[(E)-2-carboxy-1-(3,4-dihydroxyphenyl)vinyl]-β-D-xylopyranose [ACD/IUPAC Name]
(5R)-5-[(1S,2E)-3-Carboxy-2-(3,4-dihydroxyphenyl)-1-hydroxy-2-propen-1-yl]-1-C-[(E)-2-carboxy-1-(3,4-dihydroxyphenyl)vinyl]-β-D-xylopyranose [German] [ACD/IUPAC Name]
(5R)-5-[(1S,2E)-3-Carboxy-2-(3,4-dihydroxyphényl)-1-hydroxy-2-propén-1-yl]-1-C-[(E)-2-carboxy-1-(3,4-dihydroxyphényl)vinyl]-β-D-xylopyranose [French] [ACD/IUPAC Name]
L-glycero-β-D-gluco-Dodeca-2,10-dien-4-ulopyranosaric acid, 2,3,10,11-tetradeoxy-3,10-bis(3,4-dihydroxyphenyl)-, (2E,10E)- [ACD/Index Name]
56614-74-5 [RN]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 908.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 138.4±3.0 kJ/mol
Flash Point: 308.4±27.8 °C
Index of Refraction: 1.793
Molar Refractivity: 125.2±0.3 cm3
#H bond acceptors: 14
#H bond donors: 11
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 3.71
ACD/LogD (pH 5.5): -1.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.46
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 266 Å2
Polarizability: 49.6±0.5 10-24cm3
Surface Tension: 128.5±3.0 dyne/cm
Molar Volume: 295.0±3.0 cm3

Click to predict properties on the Chemicalize site


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