ChemSpider 2D Image | (1R)-1,5-Anhydro-1-[3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-ethylphenyl]-L-iditol | C23H28O7

(1R)-1,5-Anhydro-1-[3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-ethylphenyl]-L-iditol

  • Molecular FormulaC23H28O7
  • Average mass416.464 Da
  • Monoisotopic mass416.183502 Da
  • ChemSpider ID107446739

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1R)-1,5-Anhydro-1-[3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-ethylphenyl]-L-iditol [German] [ACD/IUPAC Name]
(1R)-1,5-Anhydro-1-[3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-ethylphenyl]-L-iditol [ACD/IUPAC Name]
(1R)-1,5-Anhydro-1-[3-(2,3-dihydro-1,4-benzodioxin-6-ylméthyl)-4-éthylphényl]-L-iditol [French] [ACD/IUPAC Name]
L-Iditol, 1,5-anhydro-1-C-[3-[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-4-ethylphenyl]-, (1R)- [ACD/Index Name]
1291094-73-9 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 629.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.9±3.0 kJ/mol
Flash Point: 334.7±31.5 °C
Index of Refraction: 1.620
Molar Refractivity: 109.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.04
ACD/LogD (pH 5.5): 2.25
ACD/BCF (pH 5.5): 30.11
ACD/KOC (pH 5.5): 398.23
ACD/LogD (pH 7.4): 2.25
ACD/BCF (pH 7.4): 30.11
ACD/KOC (pH 7.4): 398.22
Polar Surface Area: 109 Å2
Polarizability: 43.5±0.5 10-24cm3
Surface Tension: 58.1±3.0 dyne/cm
Molar Volume: 312.3±3.0 cm3

Click to predict properties on the Chemicalize site


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