ChemSpider 2D Image | (5R)-1,5-Anhydro-2-bromo-5-[(1R,2S,4S,5S)-5-bromo-4-chloro-2-hydroxy-4-methylcyclohexyl]-2,3-dideoxy-1,1,5-trimethyl-L-threo-pentitol | C15H25Br2ClO3

(5R)-1,5-Anhydro-2-bromo-5-[(1R,2S,4S,5S)-5-bromo-4-chloro-2-hydroxy-4-methylcyclohexyl]-2,3-dideoxy-1,1,5-trimethyl-L-threo-pentitol

  • Molecular FormulaC15H25Br2ClO3
  • Average mass448.618 Da
  • Monoisotopic mass445.985870 Da
  • ChemSpider ID35517115

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(5R)-1,5-Anhydro-2-brom-5-[(1R,2S,4S,5S)-5-brom-4-chlor-2-hydroxy-4-methylcyclohexyl]-2,3-didesoxy-1,1,5-trimethyl-L-threo-pentitol [German] [ACD/IUPAC Name]
(5R)-1,5-Anhydro-2-bromo-5-[(1R,2S,4S,5S)-5-bromo-4-chloro-2-hydroxy-4-methylcyclohexyl]-2,3-dideoxy-1,1,5-trimethyl-L-threo-pentitol [ACD/IUPAC Name]
(5R)-1,5-Anhydro-2-bromo-5-[(1R,2S,4S,5S)-5-bromo-4-chloro-2-hydroxy-4-méthylcyclohexyl]-2,3-didésoxy-1,1,5-triméthyl-L-thréo-pentitol [French] [ACD/IUPAC Name]
L-threo-Pentitol, 1,5-anhydro-2-bromo-5-C-[(1R,2S,4S,5S)-5-bromo-4-chloro-2-hydroxy-4-methylcyclohexyl]-2,3-dideoxy-1,1,5-tri-C-methyl-, (5R)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 493.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 87.6±6.0 kJ/mol
Flash Point: 252.3±28.7 °C
Index of Refraction: 1.569
Molar Refractivity: 92.4±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.33
ACD/LogD (pH 5.5): 3.46
ACD/BCF (pH 5.5): 251.16
ACD/KOC (pH 5.5): 1817.59
ACD/LogD (pH 7.4): 3.46
ACD/BCF (pH 7.4): 251.16
ACD/KOC (pH 7.4): 1817.59
Polar Surface Area: 50 Å2
Polarizability: 36.6±0.5 10-24cm3
Surface Tension: 50.0±5.0 dyne/cm
Molar Volume: 281.9±5.0 cm3

Click to predict properties on the Chemicalize site


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