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Search term: JJPMRTIXVDUCCW-UCGFNCKJSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (1R)-1-{(2R,2'R,5R,5'R)-5'-[(1R)-1-Hydroxyethyl]octahydro-2,2'-bifuran-5-yl}-1-undecanol | C21H40O4

(1R)-1-{(2R,2'R,5R,5'R)-5'-[(1R)-1-Hydroxyethyl]octahydro-2,2'-bifuran-5-yl}-1-undecanol

  • Molecular FormulaC21H40O4
  • Average mass356.540 Da
  • Monoisotopic mass356.292664 Da
  • ChemSpider ID23272607

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1R)-1-{(2R,2'R,5R,5'R)-5'-[(1R)-1-Hydroxyethyl]octahydro-2,2'-bifuran-5-yl}-1-undecanol [German] [ACD/IUPAC Name]
(1R)-1-{(2R,2'R,5R,5'R)-5'-[(1R)-1-Hydroxyethyl]octahydro-2,2'-bifuran-5-yl}-1-undecanol [ACD/IUPAC Name]
(1R)-1-{(2R,2'R,5R,5'R)-5'-[(1R)-1-Hydroxyéthyl]octahydro-2,2'-bifuran-5-yl}-1-undécanol [French] [ACD/IUPAC Name]
(1R)-1-{(2R,2'R,5R,5'R)-5'-[(1R)-1-hydroxyethyl]octahydro-2,2'-bifuran-5-yl}undecan-1-ol
[2,2'-Bifuran]-5,5'-dimethanol, α5-decyloctahydro-α5'-methyl-, (α5R,α5'R,2R,2'R,5R,5'R)- [ACD/Index Name]
(R)-1-[(2R,5R,2'R,5'R)-5'-((R)-1-hydroxy-ethyl)-octahydro-[2,2']bifuranyl-5-yl]-undecan-1-ol

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

Density: 1.0±0.1 g/cm3
Boiling Point: 481.5±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 86.0±6.0 kJ/mol
Flash Point: 245.0±20.4 °C
Index of Refraction: 1.494
Molar Refractivity: 101.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 4.54
ACD/LogD (pH 5.5): 5.07
ACD/BCF (pH 5.5): 4169.00
ACD/KOC (pH 5.5): 13577.26
ACD/LogD (pH 7.4): 5.07
ACD/BCF (pH 7.4): 4169.00
ACD/KOC (pH 7.4): 13577.26
Polar Surface Area: 59 Å2
Polarizability: 40.2±0.5 10-24cm3
Surface Tension: 40.0±3.0 dyne/cm
Molar Volume: 347.9±3.0 cm3

Click to predict properties on the Chemicalize site


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