ChemSpider 2D Image | (1E,3R,4R,5R,6S)-1-[2-(Hydroxymethyl)-3-methoxyphenyl]-6-methoxy-1-heptene-3,4,5-triol | C16H24O6

(1E,3R,4R,5R,6S)-1-[2-(Hydroxymethyl)-3-methoxyphenyl]-6-methoxy-1-heptene-3,4,5-triol

  • Molecular FormulaC16H24O6
  • Average mass312.358 Da
  • Monoisotopic mass312.157288 Da
  • ChemSpider ID40256633

  • 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

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

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

Density: 1.2±0.1 g/cm3
Boiling Point: 550.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.4±3.0 kJ/mol
Flash Point: 286.7±30.1 °C
Index of Refraction: 1.589
Molar Refractivity: 84.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 0.26
ACD/LogD (pH 5.5): 0.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 31.95
ACD/LogD (pH 7.4): 0.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 31.95
Polar Surface Area: 99 Å2
Polarizability: 33.5±0.5 10-24cm3
Surface Tension: 53.4±3.0 dyne/cm
Molar Volume: 251.1±3.0 cm3

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