ChemSpider 2D Image | (2R,2'S,5S,5'R,6R)-5'-Bromo-6-{(2E)-3-[(2S,2'R,5S,5'R)-5'-(2-hydroxy-2-propanyl)-2',5-dimethyloctahydro-2,2'-bifuran-5-yl]-2-propen-1-yl}-2',5,6',6'-tetramethyloctahydro-2H,2'H-2,2'-bipyran-5-ol | C30H51BrO6

(2R,2'S,5S,5'R,6R)-5'-Bromo-6-{(2E)-3-[(2S,2'R,5S,5'R)-5'-(2-hydroxy-2-propanyl)-2',5-dimethyloctahydro-2,2'-bifuran-5-yl]-2-propen-1-yl}-2',5,6',6'-tetramethyloctahydro-2H,2'H-2,2'-bipyran-5-ol

  • Molecular FormulaC30H51BrO6
  • Average mass587.626 Da
  • Monoisotopic mass586.286865 Da
  • ChemSpider ID35516920

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(2R,2'S,5S,5'R,6R)-5'-Brom-6-{(2E)-3-[(2S,2'R,5S,5'R)-5'-(2-hydroxy-2-propanyl)-2',5-dimethyloctahydro-2,2'-bifuran-5-yl]-2-propen-1-yl}-2',5,6',6'-tetramethyloctahydro-2H,2'H-2,2'-bipyran-5-ol [German] [ACD/IUPAC Name]
(2R,2'S,5S,5'R,6R)-5'-Bromo-6-{(2E)-3-[(2S,2'R,5S,5'R)-5'-(2-hydroxy-2-propanyl)-2',5-dimethyloctahydro-2,2'-bifuran-5-yl]-2-propen-1-yl}-2',5,6',6'-tetramethyloctahydro-2H,2'H-2,2'-bipyran-5-ol [ACD/IUPAC Name]
(2R,2'S,5S,5'R,6R)-5'-Bromo-6-{(2E)-3-[(2S,2'R,5S,5'R)-5'-(2-hydroxy-2-propanyl)-2',5-diméthyloctahydro-2,2'-bifuran-5-yl]-2-propén-1-yl}-2',5,6',6'-tétraméthyloctahydro-2H,2'H-2,2'-bipyran-5-ol [French] [ACD/IUPAC Name]
[2,2'-Bi-2H-pyran]-5-ol, 5'-bromooctahydro-2',5,6',6'-tetramethyl-6-[(2E)-3-[(2S,2'R,5S,5'R)-octahydro-5'-(1-hydroxy-1-methylethyl)-2',5-dimethyl[2,2'-bifuran]-5-yl]-2-propen-1-yl]-, (2R,2'S,5S,5'R,6R )- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 616.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 104.9±6.0 kJ/mol
Flash Point: 326.9±31.5 °C
Index of Refraction: 1.538
Molar Refractivity: 151.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.65
ACD/LogD (pH 5.5): 4.73
ACD/BCF (pH 5.5): 2327.46
ACD/KOC (pH 5.5): 8945.63
ACD/LogD (pH 7.4): 4.73
ACD/BCF (pH 7.4): 2327.46
ACD/KOC (pH 7.4): 8945.63
Polar Surface Area: 77 Å2
Polarizability: 60.1±0.5 10-24cm3
Surface Tension: 42.6±3.0 dyne/cm
Molar Volume: 484.4±3.0 cm3

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