Molecular Structure of 2-Deoxy-2,2-difluoro-D-erythro-pentafuranous-1-ulose-3,5-dibenzoate (CAS NO.122111-01-7):

Empirical Formula: C₁₉H₁₄F₂O₆
Molecular Weight: 376.3077
H bond acceptors: 6
H bond donors: 0
Freely Rotating Bonds: 7
Polar Surface Area: 78.9Ų
Index of Refraction: 1.571
Molar Refractivity: 87.61 cm³
Molar Volume: 266.798 cm³
Surface Tension: 51.72 dyne/cm
Density: 1.41 g/cm³
Flash Point: 210.499 °C
Enthalpy of Vaporization: 69.38 kJ/mol
Boiling Point: 437.216 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25°C
Melting point: 117-119 °C(lit.)
Product Categories: Intermediatesofgemcitabine; 13C & 2H Sugars; Carbohydrates & Derivatives; Antineoplastic drug, difluorine nucleoside analog

WGK Germany: 3

  2-Deoxy-2,2-difluoro-D-erythro-pentafuranous-1-ulose-3,5-dibenzoate , with CAS number of 122111-01-7, can be called (2R,3R)-4,4-Difluor-5-oxo-2-{[(phenylcarbonyl)oxy]methyl}tetrahydrofuran-3-ylbenzolcarboxylat (non-preferred name) ; (2R,3R)-4,4-Difluoro-5-oxo-2-{[(phenylcarbonyl)oxy]methyl}tetrahydrofuran-3-yl benzoate (non-preferred name) ; [(2R,3R)-3-(Benzoyloxy)-4,4-difluoro-5-oxotetrahydro-2-furanyl]methyl benzoate ; [(2R,3R)-3-(Benzoyloxy)-4,4-difluoro-5-oxotetrahydro-2-furanyl]methyl benzoate (non-preferred name) ; [(2R,3R)-3-(Benzoyloxy)-4,4-difluoro-5-oxotetrahydrofuran-2-yl]methyl benzoate ; [(2R,3R)-3-(Benzoyloxy)-4,4-difluoro-5-oxotetrahydrofuran-2-yl]methyl benzoate (non-preferred name) ; 2-Deoxy-2,2-difluoro-D-erythro-pentafuranous-1-ulose-3,5-dibenzoate 98% ; 2-Deoxy-2,2-difluoro-D-erythro-pentonic acid g-lactone 3,5-dibenzoate . It is an off-white solid.