ChemSpider 2D Image | (2R)-2-(3-{(E)-2-[(2S,3R,4S)-5-Carboxy-2-(beta-D-glucopyranosyloxy)-3-vinyl-3,4-dihydro-2H-pyran-4-yl]vinyl}-1-pyridiniumyl)-3-phenylpropanoate | C30H33NO11

(2R)-2-(3-{(E)-2-[(2S,3R,4S)-5-Carboxy-2-(β-D-glucopyranosyloxy)-3-vinyl-3,4-dihydro-2H-pyran-4-yl]vinyl}-1-pyridiniumyl)-3-phenylpropanoate

  • Molecular FormulaC30H33NO11
  • Average mass583.583 Da
  • Monoisotopic mass583.205383 Da
  • ChemSpider ID31129881

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(2R)-2-(3-{(E)-2-[(2S,3R,4S)-5-Carboxy-2-(β-D-glucopyranosyloxy)-3-vinyl-3,4-dihydro-2H-pyran-4-yl]vinyl}-1-pyridiniumyl)-3-phenylpropanoat [German] [ACD/IUPAC Name]
(2R)-2-(3-{(E)-2-[(2S,3R,4S)-5-Carboxy-2-(β-D-glucopyranosyloxy)-3-vinyl-3,4-dihydro-2H-pyran-4-yl]vinyl}-1-pyridiniumyl)-3-phenylpropanoate [ACD/IUPAC Name]
(2R)-2-(3-{(E)-2-[(2S,3R,4S)-5-Carboxy-2-(β-D-glucopyranosyloxy)-3-vinyl-3,4-dihydro-2H-pyran-4-yl]vinyl}-1-pyridiniumyl)-3-phénylpropanoate [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (2S,3R,4S)-5-carboxy-4-[(E)-2-[1-[(1R)-1-carboxy-2-phenylethyl]-3-pyridiniumyl]ethenyl]-3-ethenyl-3,4-dihydro-2H-pyran-2-yl, inner salt [ACD/Index Name]

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -4.31
ACD/LogD (pH 5.5): -3.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.77
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 190 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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