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| CAS No.: | 28541-83-5 |
|---|---|
| Name: | 4-METHYLUMBELLIFERYL BETA-D-MANNOPYRANOSIDE |
| Molecular Structure: | |
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| Formula: | C16H18O8 |
| Molecular Weight: | 338.314 |
| Synonyms: | Mannopyranoside,4-methyl-2-oxo-2H-1-benzopyran-7-yl, α-D- (8CI);2H-1-Benzopyran-2-one,7-(a-D-mannopyranosyloxy)-4-methyl-;4-Methylumbelliferyl α-D-mannoside;4'-Methylumbelliferyl α-D-mannopyranoside;2H-1-Benzopyran-2-one,7-(α-D-mannopyranosyloxy)-4-methyl-;7-(α-D-mannopyranosyloxy)-4-methyl-2H-1-benzopyran-2-one; |
| EINECS: | 249-073-2 |
| Density: | 1.522 g/cm3 |
| Melting Point: | 190 °C |
| Boiling Point: | 626.9 °C at 760 mmHg |
| Flash Point: | 233.9 °C |
| Solubility: | pyridine: 20 mg/mL, clear, faintly yellow |
| Appearance: | White Solid |
| Safety: | 24/25 |
| PSA: | 129.59000 |
| LogP: | -0.71990 |
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Specification
The 4-Methylumbelliferyl α-D-mannopyranoside, with the CAS registry number 28541-83-5, is also known as 2H-1-Benzopyran-2-one,7-(α-D-mannopyranosyloxy)-4-methyl-. It belongs to the product categories of Substrates; Fluorescent Labels and Indicators; Carbohydrates & Derivatives; Fluorescent Labels & Indicators; AlphabeticalSubstrates; FluorogenicEnzyme Substrates; Mannosidase, alpha-; Mannoside; Fluorescent Probes, Labels, Particles and Stains; Substrates by Enzyme. Its EINECS number is 249-073-2. This chemical's molecular formula is C16H18O8 and formula weight is 338.31. What's more, its IUPAC name is 4-methyl-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one. When using it, you should avoid contacting with skin and eyes. It should be sealed and stored at the temperature of 2 - 4°C.
Physical properties of 4-Methylumbelliferyl α-D-mannopyranoside are: (1)ACD/LogP: -0.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.46; (4)ACD/BCF (pH 5.5): 1; (5)ACD/KOC (pH 5.5): 13.32; (6)#H bond acceptors: 8; (7)#H bond donors: 4; (8)#Freely Rotating Bonds: 7; (9)Polar Surface Area: 81.68 Å2; (10)Index of Refraction: 1.641; (11)Molar Refractivity: 80.17 cm3; (12)Molar Volume: 222.1 cm3; (13)Surface Tension: 73.1 dyne/cm; (14)Density: 1.522 g/cm3; (15)Flash Point: 233.9 °C; (16)Enthalpy of Vaporization: 97.54 kJ/mol; (17)Boiling Point: 626.9 °C at 760 mmHg; (18)Vapour Pressure: 1.39E-16 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=CC(=O)OC2=C1C=CC(=C2)OC3C(C(C(C(O3)CO)O)O)O
(2)InChI: InChI=1S/C16H18O8/c1-7-4-12(18)23-10-5-8(2-3-9(7)10)22-16-15(21)14(20)13
(3)(19)11(6-17)24-16/h2-5,11,13-17,19-21H,6H2,1H3
(4)InChIKey: YUDPTGPSBJVHCN-UHFFFAOYSA-N