ChemSpider 2D Image | (2Z)-3-[(2S,3S)-5-Hydroxy-2,3,8,8-tetramethyl-4-oxo-3,4-dihydro-2H,8H-pyrano[2,3-f]chromen-6-yl]-3-phenylacrylic acid | C25H24O6

(2Z)-3-[(2S,3S)-5-Hydroxy-2,3,8,8-tetramethyl-4-oxo-3,4-dihydro-2H,8H-pyrano[2,3-f]chromen-6-yl]-3-phenylacrylic acid

  • Molecular FormulaC25H24O6
  • Average mass420.454 Da
  • Monoisotopic mass420.157288 Da
  • ChemSpider ID111307592

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2Z)-3-[(2S,3S)-5-Hydroxy-2,3,8,8-tetramethyl-4-oxo-3,4-dihydro-2H,8H-pyrano[2,3-f]chromen-6-yl]-3-phenylacrylic acid [ACD/IUPAC Name]
(2Z)-3-[(2S,3S)-5-Hydroxy-2,3,8,8-tetramethyl-4-oxo-3,4-dihydro-2H,8H-pyrano[2,3-f]chromen-6-yl]-3-phenylacrylsäure [German] [ACD/IUPAC Name]
2-Propenoic acid, 3-[(2S,3S)-3,4-dihydro-5-hydroxy-2,3,8,8-tetramethyl-4-oxo-2H,8H-benzo[1,2-b:3,4-b']dipyran-6-yl]-3-phenyl-, (2Z)- [ACD/Index Name]
Acide (2Z)-3-[(2S,3S)-5-hydroxy-2,3,8,8-tétraméthyl-4-oxo-3,4-dihydro-2H,8H-pyrano[2,3-f]chromén-6-yl]-3-phénylacrylique [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 633.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.5±3.0 kJ/mol
Flash Point: 218.1±25.0 °C
Index of Refraction: 1.603
Molar Refractivity: 114.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 8.78
ACD/LogD (pH 5.5): 4.55
ACD/BCF (pH 5.5): 594.12
ACD/KOC (pH 5.5): 970.26
ACD/LogD (pH 7.4): 2.66
ACD/BCF (pH 7.4): 7.57
ACD/KOC (pH 7.4): 12.36
Polar Surface Area: 93 Å2
Polarizability: 45.5±0.5 10-24cm3
Surface Tension: 48.1±3.0 dyne/cm
Molar Volume: 333.8±3.0 cm3

Click to predict properties on the Chemicalize site


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