Found 51 results

Search term: MF = 'C_{21}H_{20}Cl_{2}O_{5}'
ChemSpider 2D Image | (4R,6S)-6-[(E)-2-{2,4-Dichloro-6-[(4-methoxybenzyl)oxy]phenyl}vinyl]-4-hydroxytetrahydro-2H-pyran-2-one | C21H20Cl2O5

(4R,6S)-6-[(E)-2-{2,4-Dichloro-6-[(4-methoxybenzyl)oxy]phenyl}vinyl]-4-hydroxytetrahydro-2H-pyran-2-one

  • Molecular FormulaC21H20Cl2O5
  • Average mass423.286 Da
  • Monoisotopic mass422.068787 Da
  • ChemSpider ID30844590

  • 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

(4R,6S)-6-[(E)-2-{2,4-Dichlor-6-[(4-methoxybenzyl)oxy]phenyl}vinyl]-4-hydroxytetrahydro-2H-pyran-2-on [German] [ACD/IUPAC Name]
(4R,6S)-6-[(E)-2-{2,4-Dichloro-6-[(4-methoxybenzyl)oxy]phenyl}vinyl]-4-hydroxytetrahydro-2H-pyran-2-one [ACD/IUPAC Name]
(4R,6S)-6-[(E)-2-{2,4-Dichloro-6-[(4-méthoxybenzyl)oxy]phényl}vinyl]-4-hydroxytétrahydro-2H-pyran-2-one [French] [ACD/IUPAC Name]
2H-Pyran-2-one, 6-[(E)-2-[2,4-dichloro-6-[(4-methoxyphenyl)methoxy]phenyl]ethenyl]tetrahydro-4-hydroxy-, (4R,6S)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 625.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.4±3.0 kJ/mol
Flash Point: 332.2±31.5 °C
Index of Refraction: 1.659
Molar Refractivity: 111.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.68
ACD/LogD (pH 5.5): 3.79
ACD/BCF (pH 5.5): 445.10
ACD/KOC (pH 5.5): 2737.60
ACD/LogD (pH 7.4): 3.79
ACD/BCF (pH 7.4): 445.10
ACD/KOC (pH 7.4): 2737.59
Polar Surface Area: 65 Å2
Polarizability: 44.1±0.5 10-24cm3
Surface Tension: 61.8±3.0 dyne/cm
Molar Volume: 301.7±3.0 cm3

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