Found 1 result

Search term: MF = 'C_{19}H_{18}F_{2}IO_{6}P'
ChemSpider 2D Image | (1R,4xi)-1,4-Anhydro-2-deoxy-1-(2,4-difluoro-5-iodophenyl)-5-O-[(2R)-8-methyl-2-oxido-4H-1,3,2-benzodioxaphosphinin-2-yl]-D-glycero-pentitol | C19H18F2IO6P

(1R,4ξ)-1,4-Anhydro-2-deoxy-1-(2,4-difluoro-5-iodophenyl)-5-O-[(2R)-8-methyl-2-oxido-4H-1,3,2-benzodioxaphosphinin-2-yl]-D-glycero-pentitol

  • Molecular FormulaC19H18F2IO6P
  • Average mass538.218 Da
  • Monoisotopic mass537.985352 Da
  • ChemSpider ID30650365

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(1R,4ξ)-1,4-Anhydro-2-deoxy-1-(2,4-difluoro-5-iodophenyl)-5-O-[(2R)-8-methyl-2-oxido-4H-1,3,2-benzodioxaphosphinin-2-yl]-D-glycero-pentitol [ACD/IUPAC Name]
(1R,4ξ)-1,4-Anhydro-2-desoxy-1-(2,4-difluor-5-iodphenyl)-5-O-[(2R)-8-methyl-2-oxido-4H-1,3,2-benzodioxaphosphinin-2-yl]-D-glycero-pentitol [German] [ACD/IUPAC Name]
(1R,4ξ)-1,4-Anhydro-2-désoxy-1-(2,4-difluoro-5-iodophényl)-5-O-[(2R)-8-méthyl-2-oxydo-4H-1,3,2-benzodioxaphosphinin-2-yl]-D-glycéro-pentitol [French] [ACD/IUPAC Name]
D-glycero-Pentitol, 1,4-anhydro-2-deoxy-1-C-(2,4-difluoro-5-iodophenyl)-5-O-[(2R)-8-methyl-2-oξdo-4H-1,3,2-benzodioxaphosphorin-2-yl]-, (1R,4ξ)- [ACD/Index Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 552.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.6±3.0 kJ/mol
Flash Point: 287.8±30.1 °C
Index of Refraction: 1.630
Molar Refractivity: 108.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 3.62
ACD/LogD (pH 5.5): 3.55
ACD/BCF (pH 5.5): 293.57
ACD/KOC (pH 5.5): 2032.33
ACD/LogD (pH 7.4): 3.55
ACD/BCF (pH 7.4): 293.57
ACD/KOC (pH 7.4): 2032.33
Polar Surface Area: 84 Å2
Polarizability: 42.9±0.5 10-24cm3
Surface Tension: 60.5±5.0 dyne/cm
Molar Volume: 303.9±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement