ChemSpider 2D Image | (-)-(7R,8R)-Virolin | C21H26O5

(-)-(7R,8R)-Virolin

  • Molecular FormulaC21H26O5
  • Average mass358.428 Da
  • Monoisotopic mass358.178009 Da
  • ChemSpider ID29420645

  • 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

(-)-(7R,8R)-Virolin
(1R,2R)-1-(3,4-Dimethoxyphenyl)-2-{2-methoxy-4-[(1E)-1-propen-1-yl]phenoxy}-1-propanol [German] [ACD/IUPAC Name]
(1R,2R)-1-(3,4-Dimethoxyphenyl)-2-{2-methoxy-4-[(1E)-1-propen-1-yl]phenoxy}-1-propanol [ACD/IUPAC Name]
(1R,2R)-1-(3,4-Diméthoxyphényl)-2-{2-méthoxy-4-[(1E)-1-propén-1-yl]phénoxy}-1-propanol [French] [ACD/IUPAC Name]
Benzenemethanol, 3,4-dimethoxy-α-[(1R)-1-[2-methoxy-4-[(1E)-1-propen-1-yl]phenoxy]ethyl]-, (αR)- [ACD/Index Name]
(1R,2R)-1-(3,4-dimethoxyphenyl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propan-1-ol

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

Density: 1.1±0.1 g/cm3
Boiling Point: 525.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.1±3.0 kJ/mol
Flash Point: 271.3±30.1 °C
Index of Refraction: 1.567
Molar Refractivity: 104.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.69
ACD/LogD (pH 5.5): 3.16
ACD/BCF (pH 5.5): 149.10
ACD/KOC (pH 5.5): 1251.34
ACD/LogD (pH 7.4): 3.16
ACD/BCF (pH 7.4): 149.10
ACD/KOC (pH 7.4): 1251.34
Polar Surface Area: 57 Å2
Polarizability: 41.3±0.5 10-24cm3
Surface Tension: 40.0±3.0 dyne/cm
Molar Volume: 318.8±3.0 cm3

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