| Identification | |
| Name: | b-D-Galactopyranoside,2-nitrophenyl 1-thio- |
| Synonyms: | Galactopyranoside,o-nitrophenyl 1-thio- (7CI);Galactopyranoside, o-nitrophenyl 1-thio-, b-D- (8CI);2-Nitrophenyl-b-D-thiogalactopyranoside;Thio-o-nitrophenyl-b-D-galactopyranoside;o-Nitrophenyl 1-thio-b-D-galactoside;o-Nitrophenyl b-D-thiogalactoside; |
| CAS: | 1158-17-4 |
| EINECS: | 214-593-0 |
| Molecular Formula: | C12H15NO7S |
| Molecular Weight: | 317.32 |
| InChI: | InChI=1/C12H15NO7S/c14-5-7-9(15)10(16)11(17)12(20-7)21-8-4-2-1-3-6(8)13(18)19/h1-4,7,9-12,14-17H,5H2 |
| Molecular Structure: |  |
| Properties | |
| Melting Point: | 196-203 °C |
| Flash Point: | 299.8°C |
| Boiling Point: | 572.1°Cat760mmHg |
| Density: | 1.63g/cm3 |
| Refractive index: | 1.688 |
| Appearance: | white to light yellow crystal powde |
| Specification: |
The 2-Nitrophenyl beta-D-thiogalactopyranoside with the cas number 1158-17-4 is also called b-D-Galactopyranoside,2-nitrophenyl 1-thio-. The IUPAC name is (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(2-nitrophenyl)sulfanyloxane-3,4,5-triol. Its EINECS registry number is 214-593-0. The molecular formula is C12H15NO7S. The properties of the chemical are: (1)ACD/LogP: -0.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.63; (4)ACD/LogD (pH 7.4): -0.63; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 10.81; (8)ACD/KOC (pH 7.4): 10.81; (9)#H bond acceptors: 8; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 117.27 Å2; (13)Index of Refraction: 1.688; (14)Molar Refractivity: 74.31 cm3; (15)Molar Volume: 194.6 cm3; (16)Polarizability: 29.45×10-24cm3; (17)Surface Tension: 91.5 dyne/cm; (18)Enthalpy of Vaporization: 90.23 kJ/mol; (19)Vapour Pressure: 6.26×10-14 mmHg at 25°C. You can still convert the following datas into molecular structure: |
| Flash Point: | 299.8°C |
| Storage Temperature: | −20°C |
| Safety Data | |
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