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5450-26-0

Basic Information
CAS No.: 5450-26-0
Name: 1,2:5,6-Di-O-isopropylidene-3-O-(methylsulfonyl)-alpha-D-glucofuranose
Molecular Structure:
Molecular Structure of 5450-26-0 (1,2:5,6-Di-O-isopropylidene-3-O-(methylsulfonyl)-alpha-D-glucofuranose)
Formula: C13H22 O8 S
Molecular Weight: 338.37
Synonyms: Glucofuranose,1,2:5,6-di-O-isopropylidene-, methanesulfonate, a-D- (8CI);a-D-Glucofuranose, 1,2:5,6-bis-O-(1-methylethylidene)-,methanesulfonate (9CI);a-D-Glucofuranose, 1,2:5,6-di-O-isopropylidene-, 3-methanesulfonate(6CI,7CI);1,2:5,6-Di-O-isopropylidene-3-O-mesyl-a-D-glucofuranose;3-O-(Methylsulfonyl)-1,2;5,6-di-O-isopropylidene-a-D-glucofuranose;
EINECS: 226-675-3
Density: 1.36 g/cm3
Melting Point: 79-81 ºC
Boiling Point: 447.7 °C at 760 mmHg
Flash Point: 224.5 °C
Solubility:
Appearance: off-white powder powder
Hazard Symbols:
Risk Codes:
Safety:
Transport Information:
PSA: 97.90000
LogP: 1.43990
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Chemistry

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

Specification

   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  .