ChemSpider 2D Image | (1R)-1,5-Anhydro-1-[3-(1-benzothiophen-2-ylmethyl)-4-fluorophenyl]-D-glucitol | C21H21FO5S

(1R)-1,5-Anhydro-1-[3-(1-benzothiophen-2-ylmethyl)-4-fluorophenyl]-D-glucitol

  • Molecular FormulaC21H21FO5S
  • Average mass404.452 Da
  • Monoisotopic mass404.109375 Da
  • ChemSpider ID82963440

  • 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-(1-benzothiophen-2-ylmethyl)-4-fluorophenyl]-D-glucitol [ACD/IUPAC Name]
(1R)-1,5-Anhydro-1-[3-(1-benzothiophén-2-ylméthyl)-4-fluorophényl]-D-glucitol [French] [ACD/IUPAC Name]
(1R)-1,5-Anhydro-1-[3-(1-benzothiophen-2-ylmethyl)-4-fluorphenyl]-D-glucitol [German] [ACD/IUPAC Name]
D-Glucitol, 1,5-anhydro-1-C-[3-(benzo[b]thien-2-ylmethyl)-4-fluorophenyl]-, (1R)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 628.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.8±3.0 kJ/mol
Flash Point: 334.1±31.5 °C
Index of Refraction: 1.684
Molar Refractivity: 105.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.59
ACD/LogD (pH 5.5): 3.33
ACD/BCF (pH 5.5): 199.19
ACD/KOC (pH 5.5): 1539.63
ACD/LogD (pH 7.4): 3.33
ACD/BCF (pH 7.4): 199.19
ACD/KOC (pH 7.4): 1539.63
Polar Surface Area: 118 Å2
Polarizability: 41.9±0.5 10-24cm3
Surface Tension: 63.1±3.0 dyne/cm
Molar Volume: 278.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement