ChemSpider 2D Image | (2S,3S,4R,5R,6E)-7-[2-(Hydroxymethyl)-3-methoxyphenyl]-6-heptene-2,3,4,5-tetrol | C15H22O6

(2S,3S,4R,5R,6E)-7-[2-(Hydroxymethyl)-3-methoxyphenyl]-6-heptene-2,3,4,5-tetrol

  • Molecular FormulaC15H22O6
  • Average mass298.332 Da
  • Monoisotopic mass298.141632 Da
  • ChemSpider ID40256632

  • 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

(2S,3S,4R,5R,6E)-7-[2-(Hydroxymethyl)-3-methoxyphenyl]-6-hepten-2,3,4,5-tetrol [German] [ACD/IUPAC Name]
(2S,3S,4R,5R,6E)-7-[2-(Hydroxymethyl)-3-methoxyphenyl]-6-heptene-2,3,4,5-tetrol [ACD/IUPAC Name]
(2S,3S,4R,5R,6E)-7-[2-(Hydroxyméthyl)-3-méthoxyphényl]-6-heptène-2,3,4,5-tétrol [French] [ACD/IUPAC Name]
D-allo-Hept-6-enitol, 1,6,7-trideoxy-7-[2-(hydroxymethyl)-3-methoxyphenyl]-, (6E)- [ACD/Index Name]
Varioxiranol B

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

Density: 1.3±0.1 g/cm3
Boiling Point: 582.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.5±3.0 kJ/mol
Flash Point: 305.9±30.1 °C
Index of Refraction: 1.625
Molar Refractivity: 79.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: -1.11
ACD/LogD (pH 5.5): -0.67
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.35
ACD/LogD (pH 7.4): -0.67
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 10.35
Polar Surface Area: 110 Å2
Polarizability: 31.6±0.5 10-24cm3
Surface Tension: 63.0±3.0 dyne/cm
Molar Volume: 225.8±3.0 cm3

Click to predict properties on the Chemicalize site


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