CAS No.37067-30-4,4-METHYLUMBELLIFERYL-N-ACETYL-BETA-D-GLUCOSAMINIDE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	37067-30-4
Name:	4-METHYLUMBELLIFERYL-N-ACETYL-BETA-D-GLUCOSAMINIDE
Article Data:	3

Formula:	C₁₈H₂₁NO₈
Molecular Weight:	379.367
Synonyms:	Coumarin,7-[(2-acetamido-2-deoxy-b-D-glucopyranosyl)oxy]-4-methyl- (7CI,8CI);4-Methylumbelliferyl2-acetamido-2-deoxy-b-D-glucopyranoside;4-Methylumbelliferyl-N-acetyl-b-glucosaminide;4-Methylumbelliferyl-N-acetylglucosaminide;4-Methylumbelliferyl-b-D-N-acetylglucosaminide;4-Methylumbelliferyl-b-N-acetylglucosaminide;Methylumbelliferyl 2-acetamido-2-deoxy-b-D-glucopyranoside;
EINECS:	253-333-0
Density:	1.47 g/cm³
Melting Point:	208-210 °C
Boiling Point:	732.2 °C at 760 mmHg
Flash Point:	396.6 °C
Solubility:	DMF: 20 mg/mL, clear, colorless
Appearance:	white crystalline solid
Safety:	22-24/25
PSA:	138.46000
LogP:	-0.18520

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Specification

The 4-Methylumbelliferyl-2-acetamido-2-deoxy-beta-D-glucopyranoside, with the CAS registry number 37067-30-4, is also known as 7-[[2-Acetamido-2-deoxy-beta-D-glucopyranosyl]oxy]-4-methyl-2H-1-benzopyran-2-one. It belongs to the product categories of Substrates; Sugars, Carbohydrates & Glucosides; Carbohydrates & Derivatives; Fluorescent Labels & Indicators. Its EINECS registry number is 253-333-0. This chemical's molecular formula is C₁₈H₂₁NO₈ and molecular weight is 379.36. Its IUPAC name is called N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-methyl-2-oxochromen-7-yl)oxyoxan-3-yl]acetamide. This chemical is white crystalline solid. When you are using this chemical, please be cautious about it, you should not breathe its dust and avoid contacting it with skin and eyes. This chemical can be used for the assay of b-Acetylglucosaminidase and also can be used for the diagnosis of GM2 gangliosidoses in leukocytes.

Physical properties of 4-Methylumbelliferyl-2-acetamido-2-deoxy-beta-D-glucopyranoside: (1)ACD/LogP: 0.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.33; (4)ACD/LogD (pH 7.4): 0.33; (5)ACD/BCF (pH 5.5): 1.06; (6)ACD/BCF (pH 7.4): 1.06; (7)ACD/KOC (pH 5.5): 36.23; (8)ACD/KOC (pH 7.4): 36.23; (9)#H bond acceptors: 9; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 7; (12)Index of Refraction: 1.632; (13)Molar Refractivity: 91.5 cm³; (14)Molar Volume: 256.3 cm³; (15)Surface Tension: 71.7 dyne/cm; (16)Density: 1.47 g/cm³; (17)Flash Point: 396.6 °C; (18)Enthalpy of Vaporization: 112.16 kJ/mol; (19)Boiling Point: 732.2 °C at 760 mmHg; (20)Vapour Pressure: 1.67E-22 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C/2Oc3cc(O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1NC(=O)C)CO)ccc3\C(=C\2)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: QCTHLCFVVACBSA-JVNHZCFIBN