ChemSpider 2D Image | (1S)-1,4-Anhydro-1-[4-chloro-3-(4-ethoxybenzyl)phenyl]-L-altritol | C21H25ClO6

(1S)-1,4-Anhydro-1-[4-chloro-3-(4-ethoxybenzyl)phenyl]-L-altritol

  • Molecular FormulaC21H25ClO6
  • Average mass408.873 Da
  • Monoisotopic mass408.133972 Da
  • ChemSpider ID107444377

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1S)-1,4-Anhydro-1-[4-chlor-3-(4-ethoxybenzyl)phenyl]-L-altritol [German] [ACD/IUPAC Name]
(1S)-1,4-Anhydro-1-[4-chloro-3-(4-ethoxybenzyl)phenyl]-L-altritol [ACD/IUPAC Name]
(1S)-1,4-Anhydro-1-[4-chloro-3-(4-éthoxybenzyl)phényl]-L-altritol [French] [ACD/IUPAC Name]
L-Altritol, 1,4-anhydro-1-C-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-, (1S)- [ACD/Index Name]
(2S,3R,4R,5S)-2-{4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl}-5-[(1S)-1,2-dihydroxyethyl]oxolane-3,4-diol
1469910-70-0 [RN]
Dapagliflozin 1,4-Anhydro impurity
missing

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

Density: 1.4±0.1 g/cm3
Boiling Point: 640.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.4±3.0 kJ/mol
Flash Point: 341.4±31.5 °C
Index of Refraction: 1.620
Molar Refractivity: 105.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.37
ACD/LogD (pH 5.5): 2.52
ACD/BCF (pH 5.5): 48.50
ACD/KOC (pH 5.5): 560.13
ACD/LogD (pH 7.4): 2.52
ACD/BCF (pH 7.4): 48.50
ACD/KOC (pH 7.4): 560.13
Polar Surface Area: 99 Å2
Polarizability: 41.8±0.5 10-24cm3
Surface Tension: 61.3±3.0 dyne/cm
Molar Volume: 300.4±3.0 cm3

Click to predict properties on the Chemicalize site


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