Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
b-D-Glucopyranose, 1,6-anhydro-,2,4-bis(4-methylbenzenesulfonate) |
EINECS | N/A |
CAS No. | 20204-80-2 | Density | 1.54 g/cm3 |
PSA | 142.19000 | LogP | 3.42900 |
Solubility | N/A | Melting Point |
108-110°C |
Formula | C20H22O9S2 | Boiling Point | 689.562 °C at 760 mmHg |
Molecular Weight | 470.521 | Flash Point | 370.834 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Levoglucosan, 2,4-di-p-toluenesulfonate (7CI,8CI);1,6-Anhydro-2,4-di-O-p-tolylsulfonyl-b-D-glucopyranose; |
Article Data | 13 |
The b-D-Glucopyranose, 1,6-anhydro-,2,4-bis(4-methylbenzenesulfonate), with the CAS registry number 20204-80-2, is also known as 1,6-Anhydro-2,4-di-O-p-toluenesulfonyl-beta-D-glucopyranose. This chemical's molecular formula is C20H22O9S2 and molecular weight is 470.52. What's more, its systematic name is [(1R,2S,4R,5R)-3-Hydroxy-4-(p-tolylsulfonyloxy)-6,8-dioxabicyclo[3.2.1]octan-2-yl] 4-methylbenzenesulfonate.
Physical properties of b-D-Glucopyranose, 1,6-anhydro-,2,4-bis(4-methylbenzenesulfonate) are: (1)ACD/LogP: 2.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.36; (4)ACD/LogD (pH 7.4): 2.36; (5)ACD/BCF (pH 5.5): 36.607; (6)ACD/BCF (pH 7.4): 36.606; (7)ACD/KOC (pH 5.5): 457.944; (8)ACD/KOC (pH 7.4): 457.94; (9)#H bond acceptors: 9; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 142.19 Å2; (13)Index of Refraction: 1.642; (14)Molar Refractivity: 110.439 cm3; (15)Molar Volume: 305.604 cm3; (16)Polarizability: 43.782×10-24 cm3; (17)Surface Tension: 69.694 dyne/cm; (18)Density: 1.54 g/cm3; (19)Flash Point: 370.834 °C; (20)Enthalpy of Vaporization: 106.147 kJ/mol; (21)Boiling Point: 689.562 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: Cc1ccc(cc1)S(=O)(=O)O[C@@H]2[C@H]3CO[C@H](O3)[C@@H](C2O)OS(=O)(=O)c4ccc(cc4)C
(2)InChI: InChI=1/C20H22O9S2/c1-12-3-7-14(8-4-12)30(22,23)28-18-16-11-26-20(27-16)19(17(18)21)29-31(24,25)15-9-5-13(2)6-10-15/h3-10,16-21H,11H2,1-2H3/t16-,17?,18-,19-,20-/m1/s1
(3)InChIKey: NJSSICCENMLTKO-HRCBOCMUSA-N