Molecular Structure of 1,2:5,6-Di-O-isopropylidene-3-O-(methylsulfonyl)-alpha-D-glucofuranose (CAS No.5450-26-0):
 
Molecular Formula: C₁₃H₂₂O₈S
Molecular Weight: 338.374
CAS No: 5450-26-0
H bond acceptors: 8
H bond donors: 0
Freely Rotating Bonds: 3
Polar Surface Area: 97.9 Å²
Index of Refraction: 1.52
Molar Refractivity: 75.28 cm³
Molar Volume: 247.4 cm³
Surface Tension: 46.5 dyne/cm
Density: 1.36 g/cm³
Flash Point: 224.5 °C
Enthalpy of Vaporization: 67.89 kJ/mol
Boiling Point: 447.7 °C at 760 mmHg
Vapour Pressure: 8.71E-08 mmHg at 25°C
InChI: InChI=1/C₁₃H₂₂O₈S/c1-12(2)16-6-7(18-12)8-9(21-22(5,14)15)10-11(17-8)20-13(3,4)19-10/h7-11H,6H2,1-5H3/t7-,8-,9+,10-,11-/m1/s1
InChIKey: CLCAOXSGSHWACR-KAMPLNKDBI
Std. InChI: InChI=1S/C₁₃H₂₂O₈S/c1-12(2)16-6-7(18-12)8-9(21-22(5,14)15)10-11(17-8)20-13(3,4)19-10/h7-11H,6H2,1-5H3/t7-,8-,9+,10-,11-/m1/s1
Std. InChIKey: CLCAOXSGSHWACR-KAMPLNKDSA-N
IUPAC Name: [(3aR,5R,6S,6aR)-5-[(4R)-2,2-Dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] methanesulfonate 
Product Categories: Sugars, Carbohydrates Glucosides

   1,2:5,6-Di-O-isopropylidene-3-O-(methylsulfonyl)-alpha-D-glucofuranose (CAS No.5450-26-0), its synonyms are (3aR,5R,6S,6aR)-5-[(4R)-2,2-Dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-6-yl methanesulfonate (non-preferred name) ; 1,2:5,6-bis-O-(1-Methylethylidene)-a-D-glucofuranose 3-methanesulfonate ; 3-O-methylsulphonyl-1,2,5,6-di-O-isopropylidene-?-D-glucofuranose ; 3-O-methylsulphonyl-1,2,5,6-di-O-isopropylidene-alpha-D-glucofuranose ; D-Glucofuranose, 1,2:5,6-bis-O-(1-methylethylidene)-, 3-methanesulfonate  .