Found 19 results

Search term: MF = 'C_{28}H_{31}BrO_{5}'
ChemSpider 2D Image | (1S,2R,3S,4R,5S,6R)-2,6-Bis(benzyloxy)-3-[(benzyloxy)methyl]-5-bromo-1,4-cyclohexanediol | C28H31BrO5

(1S,2R,3S,4R,5S,6R)-2,6-Bis(benzyloxy)-3-[(benzyloxy)methyl]-5-bromo-1,4-cyclohexanediol

  • Molecular FormulaC28H31BrO5
  • Average mass527.447 Da
  • Monoisotopic mass526.135498 Da
  • ChemSpider ID8182687

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1S,2R,3S,4R,5S,6R)-2,6-Bis(benzyloxy)-3-[(benzyloxy)methyl]-5-brom-1,4-cyclohexandiol [German] [ACD/IUPAC Name]
(1S,2R,3S,4R,5S,6R)-2,6-Bis(benzyloxy)-3-[(benzyloxy)methyl]-5-bromo-1,4-cyclohexanediol [ACD/IUPAC Name]
(1S,2R,3S,4R,5S,6R)-2,6-Bis(benzyloxy)-3-[(benzyloxy)méthyl]-5-bromo-1,4-cyclohexanediol [French] [ACD/IUPAC Name]
1,4-Cyclohexanediol, 2-bromo-3,5-bis(phenylmethoxy)-6-[(phenylmethoxy)methyl]-, (1R,2S,3R,4S,5R,6S)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 633.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.4±3.0 kJ/mol
Flash Point: 336.7±31.5 °C
Index of Refraction: 1.630
Molar Refractivity: 136.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.36
ACD/LogD (pH 5.5): 5.67
ACD/BCF (pH 5.5): 12053.12
ACD/KOC (pH 5.5): 29029.50
ACD/LogD (pH 7.4): 5.67
ACD/BCF (pH 7.4): 12053.07
ACD/KOC (pH 7.4): 29029.38
Polar Surface Area: 68 Å2
Polarizability: 54.0±0.5 10-24cm3
Surface Tension: 58.2±5.0 dyne/cm
Molar Volume: 383.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement