ChemSpider 2D Image | (6R)-6-{5-[4-(3-{2-Methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)vinyl]phenoxy}propyl)-1H-1,2,3-triazol-1-yl]pentyl}-5,6-dihydro-2H-pyran-2-one | C33H41N3O7

(6R)-6-{5-[4-(3-{2-Methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)vinyl]phenoxy}propyl)-1H-1,2,3-triazol-1-yl]pentyl}-5,6-dihydro-2H-pyran-2-one

  • Molecular FormulaC33H41N3O7
  • Average mass591.695 Da
  • Monoisotopic mass591.294434 Da
  • ChemSpider ID58119624

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(6R)-6-{5-[4-(3-{2-Methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)vinyl]phenoxy}propyl)-1H-1,2,3-triazol-1-yl]pentyl}-5,6-dihydro-2H-pyran-2-on [German] [ACD/IUPAC Name]
(6R)-6-{5-[4-(3-{2-Methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)vinyl]phenoxy}propyl)-1H-1,2,3-triazol-1-yl]pentyl}-5,6-dihydro-2H-pyran-2-one [ACD/IUPAC Name]
(6R)-6-{5-[4-(3-{2-Méthoxy-5-[(Z)-2-(3,4,5-triméthoxyphényl)vinyl]phénoxy}propyl)-1H-1,2,3-triazol-1-yl]pentyl}-5,6-dihydro-2H-pyran-2-one [French] [ACD/IUPAC Name]
2H-Pyran-2-one, 5,6-dihydro-6-[5-[4-[3-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]propyl]-1H-1,2,3-triazol-1-yl]pentyl]-, (6R)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 780.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.6±3.0 kJ/mol
Flash Point: 426.0±35.7 °C
Index of Refraction: 1.563
Molar Refractivity: 163.0±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 5.46
ACD/LogD (pH 5.5): 5.23
ACD/BCF (pH 5.5): 5543.61
ACD/KOC (pH 5.5): 16648.77
ACD/LogD (pH 7.4): 5.23
ACD/BCF (pH 7.4): 5544.36
ACD/KOC (pH 7.4): 16651.00
Polar Surface Area: 103 Å2
Polarizability: 64.6±0.5 10-24cm3
Surface Tension: 41.5±7.0 dyne/cm
Molar Volume: 501.7±7.0 cm3

Click to predict properties on the Chemicalize site


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