ChemSpider 2D Image | (2R,3R,5R)-5-[(1R,3E)-1-Bromo-3-hexen-1-yl]-2-[(2Z)-2-penten-4-yn-1-yl]tetrahydro-3-furanol | C15H21BrO2

(2R,3R,5R)-5-[(1R,3E)-1-Bromo-3-hexen-1-yl]-2-[(2Z)-2-penten-4-yn-1-yl]tetrahydro-3-furanol

  • Molecular FormulaC15H21BrO2
  • Average mass313.230 Da
  • Monoisotopic mass312.072479 Da
  • ChemSpider ID29216684

  • 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

(2R,3R,5R)-5-[(1R,3E)-1-Brom-3-hexen-1-yl]-2-[(2Z)-2-penten-4-in-1-yl]tetrahydro-3-furanol [German] [ACD/IUPAC Name]
(2R,3R,5R)-5-[(1R,3E)-1-Bromo-3-hexen-1-yl]-2-[(2Z)-2-penten-4-yn-1-yl]tetrahydro-3-furanol [ACD/IUPAC Name]
(2R,3R,5R)-5-[(1R,3E)-1-Bromo-3-hexén-1-yl]-2-[(2Z)-2-pentén-4-yn-1-yl]tétrahydro-3-furanol [French] [ACD/IUPAC Name]
3-Furanol, 5-[(1R,3E)-1-bromo-3-hexen-1-yl]tetrahydro-2-[(2Z)-2-penten-4-yn-1-yl]-, (2R,3R,5R)- [ACD/Index Name]
cis-deacetylkumausyne

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

Density: 1.3±0.1 g/cm3
Boiling Point: 407.4±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 76.2±6.0 kJ/mol
Flash Point: 200.2±24.6 °C
Index of Refraction: 1.540
Molar Refractivity: 78.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.54
ACD/LogD (pH 5.5): 3.43
ACD/BCF (pH 5.5): 237.55
ACD/KOC (pH 5.5): 1746.52
ACD/LogD (pH 7.4): 3.43
ACD/BCF (pH 7.4): 237.55
ACD/KOC (pH 7.4): 1746.52
Polar Surface Area: 29 Å2
Polarizability: 31.0±0.5 10-24cm3
Surface Tension: 42.7±3.0 dyne/cm
Molar Volume: 249.6±3.0 cm3

Click to predict properties on the Chemicalize site


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