ChemSpider 2D Image | (1S,2S,3R,4R,5S)-5-[4-Chloro-3-(4-ethoxybenzyl)phenyl]-1-methoxy-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol (non-preferred name) | C22H25ClO7

(1S,2S,3R,4R,5S)-5-[4-Chloro-3-(4-ethoxybenzyl)phenyl]-1-methoxy-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol (non-preferred name)

  • Molecular FormulaC22H25ClO7
  • Average mass436.883 Da
  • Monoisotopic mass436.128876 Da
  • ChemSpider ID68025282

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1S,2S,3R,4R,5S)-5-[4-Chlor-3-(4-ethoxybenzyl)phenyl]-1-methoxy-6,8-dioxabicyclo[3.2.1]octan-2,3,4-triol (non-preferred name) [German] [ACD/IUPAC Name]
(1S,2S,3R,4R,5S)-5-[4-Chloro-3-(4-ethoxybenzyl)phenyl]-1-methoxy-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol (non-preferred name) [ACD/IUPAC Name]
(1S,2S,3R,4R,5S)-5-[4-Chloro-3-(4-éthoxybenzyl)phényl]-1-méthoxy-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol (non-preferred name) [French] [ACD/IUPAC Name]
(1S,2S,3R,4R,5S)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-1-methoxy-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol
1638851-44-1 [RN]
HSK0935
Hsk0935 (hsk-0935; hsk 0935)

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

Density: 1.4±0.1 g/cm3
Boiling Point: 597.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.6±3.0 kJ/mol
Flash Point: 315.3±30.1 °C
Index of Refraction: 1.641
Molar Refractivity: 110.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 7.75
ACD/LogD (pH 5.5): 4.80
ACD/BCF (pH 5.5): 2611.36
ACD/KOC (pH 5.5): 9713.79
ACD/LogD (pH 7.4): 4.80
ACD/BCF (pH 7.4): 2611.33
ACD/KOC (pH 7.4): 9713.69
Polar Surface Area: 98 Å2
Polarizability: 43.6±0.5 10-24cm3
Surface Tension: 66.8±5.0 dyne/cm
Molar Volume: 304.9±5.0 cm3

Click to predict properties on the Chemicalize site


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