4-METHYLUMBELLIFERYL-2-ACETAMIDO-2-DEOXY-ALPHA-D-GLUCOPYRANOSIDE

The 2H-1-Benzopyran-2-one,7-[[2-(acetylamino)-2-deoxy-α-D-glucopyranosyl]oxy]-4-methyl-, with the CAS registry number 80265-04-9, is also known as 4-Methylumbelliferyl-2-acetamido-2-deoxy-α-D-glucopyranoside. It belongs to the product categories of Carbohydrates & Derivatives; Enzyme Substrates; Fluorescent Labels & Indicators; Labeling and Diagnostics Reagents. This chemical's molecular formula is C₁₈H₂₁NO₈ and molecular weight is 379.36. What's more, both its IUPAC name and systematic name are the same which is called N-[(2R,3R,4R,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-2-(4-methyl-2-oxo-chromen-7-yl)oxy-tetrahydropyran-3-yl]acetamide. It can be used as a fluorogenic substrate for assays of N-Acetyl-α-D-glucosaminidase and can be used for Sanfilippo B Syndrome. This chemical is off white solid.

Physical properties about 2H-1-Benzopyran-2-one,7-[[2-(acetylamino)-2-deoxy-α-D-glucopyranosyl]oxy]-4-methyl- are: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 16.719; (5)ACD/KOC (pH 7.4): 16.719; (6)#H bond acceptors: 9 ; (7)#H bond donors: 4; (8)#Freely Rotating Bonds: 7; (9)Polar Surface Area: 134.55 Å²; (10)Index of Refraction: 1.632; (11)Molar Refractivity: 91.504 cm³; (12)Molar Volume: 256.391 cm³; (13)Surface Tension: 71.76 dyne/cm; (14)Density: 1.48 g/cm³; (15)Flash Point: 396.601 °C; (16)Enthalpy of Vaporization: 112.158 kJ/mol; (17)Boiling Point: 732.169 °C at 760 mmHg; (18)Vapour Pressure: 0 mmHg at 25 °C; (19)Melting Point: 224-225 °C.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing and you can not breathe it. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: Cc1cc(=O)oc2c1ccc(c2)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)C
(2) InChI: InChI=1/C18H21NO8/c1-8-5-14(22)26-12-6-10(3-4-11(8)12)25-18-15(19-9(2)21)17(24)16(23)13(7-20)27-18/h3-6,13,15-18,20,23-24H,7H2,1-2H3,(H,19,21)/t13-,15-,16-,17-,18+/m1/s1
(3) InChIKey: InChI=1S/C18H21NO8/c1-8-5-14(22)26-12-6-10(3-4-11(8)12)25-18-15(19-9(2)21)17(24)16(23)13(7-20)27-18/h3-6,13,15-18,20,23-24H,7H2,1-2H3,(H,19,21)/t13-,15-,16-,17-,18+/m1/s1