ChemSpider 2D Image | (3Z)-4-Hydroxy-4-(4'-{[(3-hydroxy-3,4-dihydro-2H-1,5-benzodioxepin-3-yl)methyl]sulfanyl}-4-biphenylyl)-2-oxo-3-butenoic acid | C26H22O7S

(3Z)-4-Hydroxy-4-(4'-{[(3-hydroxy-3,4-dihydro-2H-1,5-benzodioxepin-3-yl)methyl]sulfanyl}-4-biphenylyl)-2-oxo-3-butenoic acid

  • Molecular FormulaC26H22O7S
  • Average mass478.514 Da
  • Monoisotopic mass478.108612 Da
  • ChemSpider ID95655283

More details:

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

(3Z)-4-Hydroxy-4-(4'-{[(3-hydroxy-3,4-dihydro-2H-1,5-benzodioxepin-3-yl)methyl]sulfanyl}-4-biphenylyl)-2-oxo-3-butenoic acid [ACD/IUPAC Name]
(3Z)-4-Hydroxy-4-(4'-{[(3-hydroxy-3,4-dihydro-2H-1,5-benzodioxepin-3-yl)methyl]sulfanyl}-4-biphenylyl)-2-oxo-3-butensäure [German] [ACD/IUPAC Name]
3-Butenoic acid, 4-[4'-[[(3,4-dihydro-3-hydroxy-2H-1,5-benzodioxepin-3-yl)methyl]thio][1,1'-biphenyl]-4-yl]-4-hydroxy-2-oxo-, (3Z)- [ACD/Index Name]
Acide (3Z)-4-hydroxy-4-(4'-{[(3-hydroxy-3,4-dihydro-2H-1,5-benzodioxépin-3-yl)méthyl]sulfanyl}-4-biphénylyl)-2-oxo-3-buténoïque [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 702.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.9±3.0 kJ/mol
Flash Point: 378.6±32.9 °C
Index of Refraction: 1.711
Molar Refractivity: 127.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.27
ACD/LogD (pH 5.5): -0.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 139 Å2
Polarizability: 50.4±0.5 10-24cm3
Surface Tension: 79.9±5.0 dyne/cm
Molar Volume: 325.0±5.0 cm3

Click to predict properties on the Chemicalize site


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