CAS No.17833-43-1,4-METHYLUMBELLIFERYL-ALPHA-D-GLUCOPYRANOSIDE HYDRATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	17833-43-1
Name:	4-METHYLUMBELLIFERYL-ALPHA-D-GLUCOPYRANOSIDE HYDRATE
Article Data:	2

Formula:	C₁₆H₁₈O₈
Molecular Weight:	338.314
Synonyms:	Coumarin,7-(a-D-glucopyranosyloxy)-4-methyl-(8CI);4-Methylumbelliferyl a-D-glucopyranoside;4-Methylumbelliferyl a-D-glucose;4-Methylumbelliferyl a-D-glucoside;4'-Methylumbelliferyl a-D-glucopyranoside;
EINECS:	241-794-0
Density:	1.522 g/cm³
Melting Point:	171-173 °C
Boiling Point:	626.9 °C at 760 mmHg
Flash Point:	233.9 °C
Solubility:	DMSO: 50 mg/mL, clear, colorless to faintly yellow
Safety:	22-24/25
PSA:	129.59000
LogP:	-0.71990

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Specification

The 2H-1-Benzopyran-2-one,7-(a-D-glucopyranosyloxy)-4-methyl-, with the CAS registry number 17833-43-1 and EINECS registry number 241-794-0, has the systematic name of 4-methyl-2-oxo-2H-chromen-7-yl alpha-D-glucopyranoside. It is a kind of white to off-white crystalline powder, and should be stored at 2-8°C. And the molecular formula of the chemical is C₁₆H₁₈O₈. What's more, while dealing with this chemical, you should not breathe dust and then try to avoid contacting with skin and eyes.

The characteristics of 2H-1-Benzopyran-2-one,7-(a-D-glucopyranosyloxy)-4-methyl- are as followings: (1)ACD/LogP: -0.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.46; (4)ACD/LogD (pH 7.4): -0.46; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 13.32; (8)ACD/KOC (pH 7.4): 13.32; (9)#H bond acceptors: 8; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 81.68 Å²; (13)Index of Refraction: 1.641; (14)Molar Refractivity: 80.17 cm³; (15)Molar Volume: 222.1 cm³; (16)Polarizability: 31.78 10^-24cm³; (17)Surface Tension: 73.1 dyne/cm; (18)Density: 1.522 g/cm³; (19)Flash Point: 233.9 °C; (20)Enthalpy of Vaporization: 97.54 kJ/mol; (21)Boiling Point: 626.9 °C at 760 mmHg; (22)Vapour Pressure: 1.39E-16 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C/2Oc3cc(O[C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO)ccc3\C(=C\2)C
(2)InChI: InChI=1/C16H18O8/c1-7-4-12(18)23-10-5-8(2-3-9(7)10)22-16-15(21)14(20)13(19)11(6-17)24-16/h2-5,11,13-17,19-21H,6H2,1H3/t11-,13-,14+,15-,16+/m1/s1
(3)InChIKey: YUDPTGPSBJVHCN-JZYAIQKZBA