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Search term: 23269610 (Found by CSID)
ChemSpider 2D Image | (2'S,3'R)-2'-(3,4-Dihydroxyphenyl)-4-hydroxy-6-[(E)-2-(4-hydroxy-3-methoxyphenyl)vinyl]-6'-methyl-2',3'-dihydro-2H,4'H-3,3'-bipyran-2,4'-dione | C26H22O9

(2'S,3'R)-2'-(3,4-Dihydroxyphenyl)-4-hydroxy-6-[(E)-2-(4-hydroxy-3-methoxyphenyl)vinyl]-6'-methyl-2',3'-dihydro-2H,4'H-3,3'-bipyran-2,4'-dione

  • Molecular FormulaC26H22O9
  • Average mass478.448 Da
  • Monoisotopic mass478.126373 Da
  • ChemSpider ID23269610

  • 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

(2'S,3'R)-2'-(3,4-dihydroxyphenyl)-4-hydroxy-6-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-6'-methyl-2',3'-dihydro-2H,4'H-3,3'-bipyran-2,4'-dione
(2'S,3'R)-2'-(3,4-Dihydroxyphenyl)-4-hydroxy-6-[(E)-2-(4-hydroxy-3-methoxyphenyl)vinyl]-6'-methyl-2',3'-dihydro-2H,4'H-3,3'-bipyran-2,4'-dion [German] [ACD/IUPAC Name]
(2'S,3'R)-2'-(3,4-Dihydroxyphenyl)-4-hydroxy-6-[(E)-2-(4-hydroxy-3-methoxyphenyl)vinyl]-6'-methyl-2',3'-dihydro-2H,4'H-3,3'-bipyran-2,4'-dione [ACD/IUPAC Name]
(2'S,3'R)-2'-(3,4-Dihydroxyphényl)-4-hydroxy-6-[(E)-2-(4-hydroxy-3-méthoxyphényl)vinyl]-6'-méthyl-2',3'-dihydro-2H,4'H-3,3'-bipyrane-2,4'-dione [French] [ACD/IUPAC Name]
[3,3'-Bi-2H-pyran]-2,4'(3'H)-dione, 2'-(3,4-dihydroxyphenyl)-4-hydroxy-6-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-6'-methyl-, (2'S,3'R)- [ACD/Index Name]
methyldavallialactone

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

Density: 1.5±0.1 g/cm3
Boiling Point: 722.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.8±3.0 kJ/mol
Flash Point: 246.9±26.4 °C
Index of Refraction: 1.747
Molar Refractivity: 126.7±0.3 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.23
ACD/LogD (pH 5.5): 1.09
ACD/BCF (pH 5.5): 2.42
ACD/KOC (pH 5.5): 36.76
ACD/LogD (pH 7.4): -0.69
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 143 Å2
Polarizability: 50.2±0.5 10-24cm3
Surface Tension: 83.4±3.0 dyne/cm
Molar Volume: 312.1±3.0 cm3

Click to predict properties on the Chemicalize site


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