ChemSpider 2D Image | (−)-3′-epi-varitriol | C15H20O5

(−)-3′-epi-varitriol

  • Molecular FormulaC15H20O5
  • Average mass280.316 Da
  • Monoisotopic mass280.131073 Da
  • ChemSpider ID29785323
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres


More details:






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

(−)-3′-epi-varitriol
(1E,6R)-3,6-Anhydro-1,2-dideoxy-1-[2-(hydroxymethyl)-3-methoxyphenyl]-6-methyl-D-arabino-hex-1-enitol [ACD/IUPAC Name]
(1E,6R)-3,6-Anhydro-1,2-didesoxy-1-[2-(hydroxymethyl)-3-methoxyphenyl]-6-methyl-D-arabino-hex-1-enitol [German] [ACD/IUPAC Name]
(1E,6R)-3,6-Anhydro-1,2-didésoxy-1-[2-(hydroxyméthyl)-3-méthoxyphényl]-6-méthyl-D-arabino-hex-1-énitol [French] [ACD/IUPAC Name]
D-altro-Hept-1-enitol, 3,6-anhydro-1,2,7-trideoxy-1-[2-(hydroxymethyl)-3-methoxyphenyl]-, (1E)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 458.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.8±3.0 kJ/mol
Flash Point: 231.2±28.7 °C
Index of Refraction: 1.670
Molar Refractivity: 78.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.40
ACD/LogD (pH 5.5): 0.63
ACD/BCF (pH 5.5): 1.79
ACD/KOC (pH 5.5): 52.78
ACD/LogD (pH 7.4): 0.63
ACD/BCF (pH 7.4): 1.79
ACD/KOC (pH 7.4): 52.78
Polar Surface Area: 79 Å2
Polarizability: 31.0±0.5 10-24cm3
Surface Tension: 55.5±3.0 dyne/cm
Molar Volume: 209.7±3.0 cm3

Click to predict properties on the Chemicalize site






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