ChemSpider 2D Image | (-)-Viniferal | C35H26O8

(-)-Viniferal

  • Molecular FormulaC35H26O8
  • Average mass574.576 Da
  • Monoisotopic mass574.162781 Da
  • ChemSpider ID26233612

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(-)-Viniferal
(2R,2'S,3R,3'S)-3'-(3,5-Dihydroxyphenyl)-6'-hydroxy-2,2'-bis(4-hydroxyphenyl)-2,2',3,3'-tetrahydro-3,4'-bi-1-benzofuran-5-carbaldehyd [German] [ACD/IUPAC Name]
(2R,2'S,3R,3'S)-3'-(3,5-Dihydroxyphenyl)-6'-hydroxy-2,2'-bis(4-hydroxyphenyl)-2,2',3,3'-tetrahydro-3,4'-bi-1-benzofuran-5-carbaldehyde [ACD/IUPAC Name]
(2R,2'S,3R,3'S)-3'-(3,5-Dihydroxyphényl)-6'-hydroxy-2,2'-bis(4-hydroxyphényl)-2,2',3,3'-tétrahydro-3,4'-bi-1-benzofurane-5-carbaldéhyde [French] [ACD/IUPAC Name]
[3,4'-Bibenzofuran]-5-carboxaldehyde, 3'-(3,5-dihydroxyphenyl)-2,2',3,3'-tetrahydro-6'-hydroxy-2,2'-bis(4-hydroxyphenyl)-, (2R,2'S,3R,3'S)- [ACD/Index Name]
180413-42-7 [RN]
Viniferal [Wiki]
(2R,2′S,3R,3′S)-3′-(3,5-Dihydroxyphenyl)-6′-hydroxy-2,2′-bis(4-hydroxyphenyl)-2,2′,3,3′-tetrahydro-[3,4′-bibenzofuran]-5-carbaldehyde
(2R,2'S,3R,3'S)-3'-(3,5-Dihydroxyphenyl)-6'-hydroxy-2,2'-bis(4-hydroxyphenyl)-2,2',3,3'-tetrahydro[3,4'-bi-1-benzofuran]-5-carbaldehyde

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

Density: 1.5±0.1 g/cm3
Boiling Point: 774.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 116.7±3.0 kJ/mol
Flash Point: 252.3±26.4 °C
Index of Refraction: 1.747
Molar Refractivity: 158.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 4.06
ACD/LogD (pH 5.5): 4.29
ACD/BCF (pH 5.5): 1077.58
ACD/KOC (pH 5.5): 5154.42
ACD/LogD (pH 7.4): 4.28
ACD/BCF (pH 7.4): 1046.07
ACD/KOC (pH 7.4): 5003.70
Polar Surface Area: 137 Å2
Polarizability: 62.8±0.5 10-24cm3
Surface Tension: 78.7±3.0 dyne/cm
Molar Volume: 390.3±3.0 cm3

Click to predict properties on the Chemicalize site


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