ChemSpider 2D Image | (2S,3R,4E)-5-[3-Hydroxy-2-(hydroxymethyl)phenyl]-4-pentene-2,3-diol | C12H16O4

(2S,3R,4E)-5-[3-Hydroxy-2-(hydroxymethyl)phenyl]-4-pentene-2,3-diol

  • Molecular FormulaC12H16O4
  • Average mass224.253 Da
  • Monoisotopic mass224.104858 Da
  • ChemSpider ID23550577

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,3R,4E)-5-[3-Hydroxy-2-(hydroxymethyl)phenyl]-4-penten-2,3-diol [German] [ACD/IUPAC Name]
(2S,3R,4E)-5-[3-Hydroxy-2-(hydroxymethyl)phenyl]-4-pentene-2,3-diol [ACD/IUPAC Name]
(2S,3R,4E)-5-[3-Hydroxy-2-(hydroxyméthyl)phényl]-4-pentène-2,3-diol [French] [ACD/IUPAC Name]
4-Pentene-2,3-diol, 5-[3-hydroxy-2-(hydroxymethyl)phenyl]-, (2S,3R,4E)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 496.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.4±3.0 kJ/mol
Flash Point: 247.3±23.3 °C
Index of Refraction: 1.653
Molar Refractivity: 62.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.55
ACD/LogD (pH 5.5): -0.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 18.76
ACD/LogD (pH 7.4): -0.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 18.68
Polar Surface Area: 81 Å2
Polarizability: 24.9±0.5 10-24cm3
Surface Tension: 64.9±3.0 dyne/cm
Molar Volume: 171.4±3.0 cm3

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