ChemSpider 2D Image | (2xi)-5-[4-Chloro-3-(4-ethoxybenzyl)phenyl]-1,2-O-isopropylidene-L-threo-pentodialdo-1,4-furanose | C23H25ClO6

(2ξ)-5-[4-Chloro-3-(4-ethoxybenzyl)phenyl]-1,2-O-isopropylidene-L-threo-pentodialdo-1,4-furanose

  • Molecular FormulaC23H25ClO6
  • Average mass432.894 Da
  • Monoisotopic mass432.133972 Da
  • ChemSpider ID110804335

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(2ξ)-5-[4-Chloro-3-(4-ethoxybenzyl)phenyl]-1,2-O-isopropylidene-L-threo-pentodialdo-1,4-furanose [ACD/IUPAC Name]
(2ξ)-5-[4-Chloro-3-(4-éthoxybenzyl)phényl]-1,2-O-isopropylidène-L-thréo-pentodialdo-1,4-furanose [French] [ACD/IUPAC Name]
L-threo-Pentodialdo-1,4-furanose, 5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-1,2-O-(1-methylethylidene)-, (2ξ)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 601.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.2±3.0 kJ/mol
Flash Point: 317.7±31.5 °C
Index of Refraction: 1.572
Molar Refractivity: 112.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.58
ACD/LogD (pH 5.5): 4.44
ACD/BCF (pH 5.5): 1395.66
ACD/KOC (pH 5.5): 6203.41
ACD/LogD (pH 7.4): 4.44
ACD/BCF (pH 7.4): 1395.65
ACD/KOC (pH 7.4): 6203.38
Polar Surface Area: 74 Å2
Polarizability: 44.4±0.5 10-24cm3
Surface Tension: 47.9±3.0 dyne/cm
Molar Volume: 340.4±3.0 cm3

Click to predict properties on the Chemicalize site


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