ChemSpider 2D Image | 2-[(2R,2'S,5R,5'R)-5'-{(2R,4aR,6R,8aS)-6-[(2S,5R)-5-Bromo-2,6,6-trimethyltetrahydro-2H-pyran-2-yl]-8a-methyloctahydropyrano[3,2-b]pyran-2-yl}-2,5'-dimethyloctahydro-2,2'-bifuran-5-yl]-2-propanol | C30H51BrO6

2-[(2R,2'S,5R,5'R)-5'-{(2R,4aR,6R,8aS)-6-[(2S,5R)-5-Bromo-2,6,6-trimethyltetrahydro-2H-pyran-2-yl]-8a-methyloctahydropyrano[3,2-b]pyran-2-yl}-2,5'-dimethyloctahydro-2,2'-bifuran-5-yl]-2-propanol

  • Molecular FormulaC30H51BrO6
  • Average mass587.626 Da
  • Monoisotopic mass586.286865 Da
  • ChemSpider ID29214978

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

[2,2'-Bifuran]-5-methanol, 5'-[(2R,4aR,6R,8aS)-6-[(2S,5R)-5-bromotetrahydro-2,6,6-trimethyl-2H-pyran-2-yl]octahydro-8a-methylpyrano[3,2-b]pyran-2-yl]octahydro-α,α,2,5'-tetramethyl-, (2R,2'S,5R ,5'R)- [ACD/Index Name]
2-[(2R,2'S,5R,5'R)-5'-{(2R,4aR,6R,8aS)-6-[(2S,5R)-5-Brom-2,6,6-trimethyltetrahydro-2H-pyran-2-yl]-8a-methyloctahydropyrano[3,2-b]pyran-2-yl}-2,5'-dimethyloctahydro-2,2'-bifuran-5-yl]-2-propanol [German] [ACD/IUPAC Name]
2-[(2R,2'S,5R,5'R)-5'-{(2R,4aR,6R,8aS)-6-[(2S,5R)-5-Bromo-2,6,6-trimethyltetrahydro-2H-pyran-2-yl]-8a-methyloctahydropyrano[3,2-b]pyran-2-yl}-2,5'-dimethyloctahydro-2,2'-bifuran-5-yl]-2-propanol [ACD/IUPAC Name]
2-[(2R,2'S,5R,5'R)-5'-{(2R,4aR,6R,8aS)-6-[(2S,5R)-5-Bromo-2,6,6-triméthyltétrahydro-2H-pyran-2-yl]-8a-méthyloctahydropyrano[3,2-b]pyran-2-yl}-2,5'-diméthyloctahydro-2,2'-bifuran-5-yl]-2-propanol [French] [ACD/IUPAC Name]
saiyacenol B

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

Density: 1.2±0.1 g/cm3
Boiling Point: 602.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 102.8±6.0 kJ/mol
Flash Point: 318.1±31.5 °C
Index of Refraction: 1.517
Molar Refractivity: 147.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 5.09
ACD/LogD (pH 5.5): 5.07
ACD/BCF (pH 5.5): 4220.91
ACD/KOC (pH 5.5): 13698.05
ACD/LogD (pH 7.4): 5.07
ACD/BCF (pH 7.4): 4220.91
ACD/KOC (pH 7.4): 13698.05
Polar Surface Area: 66 Å2
Polarizability: 58.6±0.5 10-24cm3
Surface Tension: 39.1±3.0 dyne/cm
Molar Volume: 488.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement