CAS No.72601-82-2,4-METHYLUMBELLIFERYL BETA-L-FUCOPYRANOSIDE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	72601-82-2
Name:	4-METHYLUMBELLIFERYL BETA-L-FUCOPYRANOSIDE
Article Data:	3

Formula:	C₁₆H₁₈O₇
Molecular Weight:	322.315
Synonyms:	Einecs 276-730-0; METHYLUMBELLIFERYL-B-L-FUCOPYRANOSIDE,4; 4-methylumbelliferyl-B-L-fucoside; 4-Methylumbelliferylb-L-fucopyranoside; 4-Methylumbelliferyl-B-LFuco;
EINECS:	276-730-0
Density:	1.441 g/cm³
Melting Point:	221-225°C
Boiling Point:	565.9 °C at 760 mmHg
Flash Point:	211.3 °C
Appearance:	White to off-white crystalline powder
PSA:	109.36000
LogP:	0.30770

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Specification

This chemical is called 2H-1-benzopyran-2-one, 7-[(6-deoxy-β-L-glucopyranosyl)oxy]-4-methyl-, and its systematic name is 4-methyl-2-oxo-2H-chromen-7-yl 6-deoxy-β-L-galactopyranoside. With the molecular formula of C₁₆H₁₈O₇, its molecular weight is 322.31. The CAS registry number of this chemical is 72601-82-2. Additionally, its product category is Substrates. It should be stored at the temperature of -20°C.

Other characteristics of the 2H-1-benzopyran-2-one, 7-[(6-deoxy-β-L-glucopyranosyl)oxy]-4-methyl- can be summarised as followings: (1)ACD/LogP: 1.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.51; (4)ACD/LogD (pH 7.4): 1.51; (5)ACD/BCF (pH 5.5): 8.25; (6)ACD/BCF (pH 7.4): 8.25; (7)ACD/KOC (pH 5.5): 157.61; (8)ACD/KOC (pH 7.4): 157.61; (9)#H bond acceptors: 7; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 72.45 Å²; (13)Index of Refraction: 1.621; (14)Molar Refractivity: 78.65 cm³; (15)Molar Volume: 223.5 cm³; (16)Polarizability: 31.18×10^-24cm³; (17)Surface Tension: 64.1 dyne/cm; (18)Density: 1.441 g/cm³; (19)Flash Point: 211.3 °C; (20)Enthalpy of Vaporization: 89.41 kJ/mol; (21)Boiling Point: 565.9 °C at 760 mmHg; (22)Vapour Pressure: 1.21E-13 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]1O)C)ccc3\C(=C\2)C
2.InChI: InChI=1/C16H18O7/c1-7-5-12(17)23-11-6-9(3-4-10(7)11)22-16-15(20)14(19)13(18)8(2)21-16/h3-6,8,13-16,18-20H,1-2H3/t8-,13+,14+,15-,16+/m0/s1
3.InChIKey: CQKHENXHLAUMBH-NXPHAWEXBS