| Specification: |
The CAS register number of 2,3,4,6-Tetra-O-acetyl-D-mannopyranose is 140147-37-1. It also can be called as Tetra-O-acetyl-d-mannopyranose and the systematic name about this chemical is 1,2,3,4-tetra-O-acetyl-D-mannopyranose. Its molecular formula is C14H20O10 and molecular weight is 348.3.
Physical properties about 2,3,4,6-Tetra-O-acetyl-D-mannopyranose are: (1)ACD/LogP: 0.06; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 4; (6)ACD/BCF (pH 7.4): 4; (7)ACD/KOC (pH 5.5): 99; (8)ACD/KOC (pH 7.4): 99; (9)#H bond acceptors: 10; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 134.66Å2; (13)Index of Refraction: 1.492; (14)Molar Refractivity: 75.418 cm3; (15)Molar Volume: 260.069 cm3; (16)Surface Tension: 49.682 dyne/cm; (17)Density: 1.339 g/cm3; (18)Flash Point: 145.58 °C; (19)Enthalpy of Vaporization: 77.617 kJ/mol; (20)Boiling Point: 418.399 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25°C.
People can use the following data to convert to the molecule structure.
1.SMILES: O=C(C)OC1O[C@H](CO)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O
2.InChI: InChI=1/C14H20O10/c1-6(16)20-11-10(5-15)24-14(23-9(4)19)13(22-8(3)18)12(11)21-7(2)17/h10-15H,5H2,1-4H3/t10-,11-,12+,13+,14?/m1/s1
3.InChIKey: FEQXFAYSNRWXDW-JABUTEAWBA
4.Std. InChI: InChI=1S/C14H20O10/c1-6(16)20-11-10(5-15)24-14(23-9(4)19)13(22-8(3)18)12(11)21-7(2)17/h10-15H,5H2,1-4H3/t10-,11-,12+,13+,14?/m1/s1
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