ChemSpider 2D Image | (1R,4S)-1-[(2S,5R)-5-(2-Hydroxy-2-propanyl)-2-methyltetrahydro-2-furanyl]-4-methyl-5-hexene-1,4-diol | C15H28O4

(1R,4S)-1-[(2S,5R)-5-(2-Hydroxy-2-propanyl)-2-methyltetrahydro-2-furanyl]-4-methyl-5-hexene-1,4-diol

  • Molecular FormulaC15H28O4
  • Average mass272.380 Da
  • Monoisotopic mass272.198761 Da
  • ChemSpider ID24672764

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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(1R,4S)-1-[(2S,5R)-5-(2-Hydroxy-2-propanyl)-2-methyltetrahydro-2-furanyl]-4-methyl-5-hexen-1,4-diol [German] [ACD/IUPAC Name]
(1R,4S)-1-[(2S,5R)-5-(2-Hydroxy-2-propanyl)-2-methyltetrahydro-2-furanyl]-4-methyl-5-hexene-1,4-diol [ACD/IUPAC Name]
(1R,4S)-1-[(2S,5R)-5-(2-Hydroxy-2-propanyl)-2-méthyltétrahydro-2-furanyl]-4-méthyl-5-hexène-1,4-diol [French] [ACD/IUPAC Name]
2,5-Furandimethanol, tetrahydro-α5-[(3S)-3-hydroxy-3-methyl-4-penten-1-yl]-α2,α2,5-trimethyl-, (α5R,2R,5S)- [ACD/Index Name]
(+)-neroplofurol

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

Density: 1.1±0.1 g/cm3
Boiling Point: 408.3±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 76.3±6.0 kJ/mol
Flash Point: 200.7±24.6 °C
Index of Refraction: 1.502
Molar Refractivity: 74.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.77
ACD/LogD (pH 5.5): 1.27
ACD/BCF (pH 5.5): 5.45
ACD/KOC (pH 5.5): 117.15
ACD/LogD (pH 7.4): 1.27
ACD/BCF (pH 7.4): 5.45
ACD/KOC (pH 7.4): 117.15
Polar Surface Area: 70 Å2
Polarizability: 29.7±0.5 10-24cm3
Surface Tension: 42.2±3.0 dyne/cm
Molar Volume: 253.7±3.0 cm3

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