ChemSpider 2D Image | (1S)-1,5-Anhydro-1-(3-bromophenyl)-D-glucitol | C12H15BrO5

(1S)-1,5-Anhydro-1-(3-bromophenyl)-D-glucitol

  • Molecular FormulaC12H15BrO5
  • Average mass319.148 Da
  • Monoisotopic mass318.010284 Da
  • ChemSpider ID65061350

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1S)-1,5-Anhydro-1-(3-bromophenyl)-D-glucitol [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-(3-bromophényl)-D-glucitol [French] [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-(3-bromphenyl)-D-glucitol [German] [ACD/IUPAC Name]
D-Glucitol, 1,5-anhydro-1-C-(3-bromophenyl)-, (1S)- [ACD/Index Name]
(2S,3R,4R,5S,6R)-2-(3-bromophenyl)-6-(hydroxymethyl)oxane-3,4,5-triol
655237-65-3 [RN]
MFCD30344928

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

Density: 1.7±0.1 g/cm3
Boiling Point: 503.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.4±3.0 kJ/mol
Flash Point: 258.5±30.1 °C
Index of Refraction: 1.643
Molar Refractivity: 67.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.16
ACD/LogD (pH 5.5): 0.60
ACD/BCF (pH 5.5): 1.69
ACD/KOC (pH 5.5): 50.60
ACD/LogD (pH 7.4): 0.60
ACD/BCF (pH 7.4): 1.69
ACD/KOC (pH 7.4): 50.60
Polar Surface Area: 90 Å2
Polarizability: 26.9±0.5 10-24cm3
Surface Tension: 63.9±3.0 dyne/cm
Molar Volume: 187.4±3.0 cm3

Click to predict properties on the Chemicalize site


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