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CAS No.: | 24404-53-3 |
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Name: | PHENYL 2,3,4,6-TETRA-O-ACETYL-1-THIO-BETA-D-GALACTOPYRANOSIDE |
Article Data: | 171 |
Molecular Structure: | |
Formula: | C20H24O9S |
Molecular Weight: | 440.471 |
Synonyms: | Galactopyranoside,phenyl 1-thio-, tetraacetate (7CI);Galactopyranoside, phenyl 1-thio-,tetraacetate, b-D- (8CI);b-D-Galactopyranoside, phenyl 1-thio-, tetraacetate (9CI);Phenyl 2,3,4,6-tetra-O-acetyl-1-thio-b-D-galactopyranoside; |
Density: | 1.313 g/cm3 |
Melting Point: | 68-72℃ |
Boiling Point: | 514.596 °C at 760 mmHg |
Flash Point: | 247.636 °C |
PSA: | 139.73000 |
LogP: | 1.86180 |
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The β-D-Galactopyranoside,phenyl 1-thio-, 2,3,4,6-tetraacetate is an organic compound with the formula C20H24O9S. The systematic name of this chemical is phenyl 2,3,4,6-tetra-O-acetyl-1-thio-β-D-galactopyranoside. With the CAS registry number 24404-53-3, the product's categories are Biochemistry; Galactose; Glycosyl Donors; Sugars; Thioglycosides; Carbohydrates.
Physical properties about β-D-Galactopyranoside,phenyl 1-thio-, 2,3,4,6-tetraacetate are: (1)ACD/LogP: 2.47; (2)ACD/LogD (pH 5.5): 4; (3)ACD/LogD (pH 7.4): 4; (4)ACD/BCF (pH 5.5): 267; (5)ACD/BCF (pH 7.4): 267; (6)ACD/KOC (pH 5.5): 1900; (7)ACD/KOC (pH 7.4): 1900; (8)#H bond acceptors: 9; (9)#Freely Rotating Bonds: 11; (10)Polar Surface Area: 139.73 Å2; (11)Index of Refraction: 1.549; (12)Molar Refractivity: 106.611 cm3; (13)Molar Volume: 335.341 cm3; (14)Polarizability: 42.264×10-24cm3; (15)Surface Tension: 51.815 dyne/cm; (16)Density: 1.313 g/cm3; (17)Flash Point: 247.636 °C; (18)Enthalpy of Vaporization: 78.627 kJ/mol; (19)Boiling Point: 514.596 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC[C@H]2O[C@@H](Sc1ccccc1)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@H]2OC(=O)C)C
(2)InChI: InChI=1/C20H24O9S/c1-11(21)25-10-16-17(26-12(2)22)18(27-13(3)23)19(28-14(4)24)20(29-16)30-15-8-6-5-7-9-15/h5-9,16-20H,10H2,1-4H3/t16-,17+,18+,19-,20+/m1/s1
(3)InChIKey: JCKOUAWEMPKIAT-CXQPBAHBBM
(4)Std. InChI: InChI=1S/C20H24O9S/c1-11(21)25-10-16-17(26-12(2)22)18(27-13(3)23)19(28-14(4)24)20(29-16)30-15-8-6-5-7-9-15/h5-9,16-20H,10H2,1-4H3/t16-,17+,18+,19-,20+/m1/s1
(5)Std. InChIKey: JCKOUAWEMPKIAT-CXQPBAHBSA-N