ChemSpider 2D Image | 5-[(1R,2R)-2-{4-[(2S,3R,4R,5S)-5-(1,3-Benzodioxol-5-yl)-3,4-dimethyltetrahydro-2-furanyl]-2-methoxyphenoxy}-1-hydroxypropyl]-2-methoxyphenol | C30H34O8

5-[(1R,2R)-2-{4-[(2S,3R,4R,5S)-5-(1,3-Benzodioxol-5-yl)-3,4-dimethyltetrahydro-2-furanyl]-2-methoxyphenoxy}-1-hydroxypropyl]-2-methoxyphenol

  • Molecular FormulaC30H34O8
  • Average mass522.586 Da
  • Monoisotopic mass522.225342 Da
  • ChemSpider ID8634811

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

5-[(1R,2R)-2-{4-[(2S,3R,4R,5S)-5-(1,3-Benzodioxol-5-yl)-3,4-dimethyltetrahydro-2-furanyl]-2-methoxyphenoxy}-1-hydroxypropyl]-2-methoxyphenol [ACD/IUPAC Name]
5-[(1R,2R)-2-{4-[(2S,3R,4R,5S)-5-(1,3-Benzodioxol-5-yl)-3,4-dimethyltetrahydro-2-furanyl]-2-methoxyphenoxy}-1-hydroxypropyl]-2-methoxyphenol [German] [ACD/IUPAC Name]
5-[(1R,2R)-2-{4-[(2S,3R,4R,5S)-5-(1,3-Benzodioxol-5-yl)-3,4-diméthyltétrahydro-2-furanyl]-2-méthoxyphénoxy}-1-hydroxypropyl]-2-méthoxyphénol [French] [ACD/IUPAC Name]
Benzenemethanol, α-[(1R)-1-[4-[(2S,3R,4R,5S)-5-(1,3-benzodioxol-5-yl)tetrahydro-3,4-dimethyl-2-furanyl]-2-methoxyphenoxy]ethyl]-3-hydroxy-4-methoxy-, (αR)- [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: 689.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.1±3.0 kJ/mol
Flash Point: 370.5±31.5 °C
Index of Refraction: 1.586
Molar Refractivity: 141.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.51
ACD/LogD (pH 5.5): 4.15
ACD/BCF (pH 5.5): 841.13
ACD/KOC (pH 5.5): 4317.29
ACD/LogD (pH 7.4): 4.15
ACD/BCF (pH 7.4): 837.26
ACD/KOC (pH 7.4): 4297.40
Polar Surface Area: 96 Å2
Polarizability: 56.2±0.5 10-24cm3
Surface Tension: 48.7±3.0 dyne/cm
Molar Volume: 422.1±3.0 cm3

Click to predict properties on the Chemicalize site


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