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Search term: ZULQUGRZOVZALE (Found by InChIKey (skeleton match))

ChemSpider 2D Image | Tetramethyl (1R,4R,5R,6S,7R,9S)-7-(4-{[(2E)-3-(2-furyl)-2-propenoyl]oxy}phenyl)-3,5-dihydroxybicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate | C30H30O13

Tetramethyl (1R,4R,5R,6S,7R,9S)-7-(4-{[(2E)-3-(2-furyl)-2-propenoyl]oxy}phenyl)-3,5-dihydroxybicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate

  • Molecular FormulaC30H30O13
  • Average mass598.551 Da
  • Monoisotopic mass598.168640 Da
  • ChemSpider ID32764259
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres


More details:






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

(1R,4R,5R,6S,7R,9S)-7-(4-{[(2E)-3-(2-Furyl)-2-propenoyl]oxy}phényl)-3,5-dihydroxybicyclo[3.3.1]non-2-ène-2,4,6,9-tétracarboxylate de tétraméthyle [French] [ACD/IUPAC Name]
Bicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylic acid, 7-[4-[[(2E)-3-(2-furanyl)-1-oxo-2-propen-1-yl]oxy]phenyl]-3,5-dihydroxy-, tetramethyl ester, (1R,4R,5R,6S,7R,9S)- [ACD/Index Name]
Tetramethyl (1R,4R,5R,6S,7R,9S)-7-(4-{[(2E)-3-(2-furyl)-2-propenoyl]oxy}phenyl)-3,5-dihydroxybicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate [ACD/IUPAC Name]
Tetramethyl-(1R,4R,5R,6S,7R,9S)-7-(4-{[(2E)-3-(2-furyl)-2-propenoyl]oxy}phenyl)-3,5-dihydroxybicyclo[3.3.1]non-2-en-2,4,6,9-tetracarboxylat [German] [ACD/IUPAC Name]
1,3-Dihydroxy-2,4,8,9-tetrakis(methoxycarbonyl)-7-[4-(3-(2-f uranyl)propenoyloxy)phenyl]bicyclo[3.3.1]non-3-ene

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

Density: 1.4±0.1 g/cm3
Boiling Point: 744.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.9±3.0 kJ/mol
Flash Point: 403.9±32.9 °C
Index of Refraction: 1.602
Molar Refractivity: 144.9±0.3 cm3
#H bond acceptors: 13
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 5.23
ACD/LogD (pH 5.5): 2.54
ACD/BCF (pH 5.5): 26.62
ACD/KOC (pH 5.5): 170.62
ACD/LogD (pH 7.4): 0.80
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.07
Polar Surface Area: 185 Å2
Polarizability: 57.5±0.5 10-24cm3
Surface Tension: 62.6±3.0 dyne/cm
Molar Volume: 422.6±3.0 cm3

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