CAS No.6734-33-4,4-METHYLUMBELLIFERYL-BETA-D-XYLOPYRANOSIDE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	6734-33-4
Name:	4-METHYLUMBELLIFERYL-BETA-D-XYLOPYRANOSIDE
Article Data:	7

Formula:	C₁₅H₁₆O₇
Molecular Weight:	308.288
Synonyms:	Coumarin,4-methyl-7-(b-D-xylopyranosyloxy)-(6CI,7CI,8CI);4-Methylumbelliferone-b-D-xyloside;4-Methylumbelliferyl b-D-xylopyranoside;4-Methylumbelliferyl b-D-xyloside;
EINECS:	229-784-4
Density:	1.514 g/cm³
Melting Point:	223 °C
Boiling Point:	572.1 °C at 760 mmHg
Flash Point:	217.3 °C
Solubility:	soluble in water
Appearance:	white to almost white powder
Safety:	22-24/25
PSA:	109.36000
LogP:	-0.08080

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Specification

The cas register number of 4-Methylumbelliferyl beta-D-xylopyranoside is 6734-33-4. It also can be called as 4-Methyl-7-(beta-D-xylopyranosyloxy)-2H-1-benzopyran-2-one and the IUPAC Name about this chemical is 4-methyl-7-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxychromen-2-one. It belongs to the Substrates. This chemical is hygroscopic and it is sensitive to humidity, so when you using it, please keep it under argon and not breathe dust, you also need avoid contact with skin and eyes.

Physical properties about 4-Methylumbelliferyl beta-D-xylopyranoside are: (1)ACD/LogP: 1.02; (2)ACD/LogD (pH 5.5): 1.02; (3)ACD/LogD (pH 7.4): 1.02; (4)ACD/BCF (pH 5.5): 3.49; (5)ACD/BCF (pH 7.4): 3.49; (6)ACD/KOC (pH 5.5): 85.1; (7)CD/KOC (pH 7.4): 85.1; (8)#H bond acceptors: 7; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 72.45Å²; (12)Index of Refraction: 1.646; (13)Molar Refractivity: 73.94 cm³; (14)Molar Volume: 203.5 cm³; (15)Polarizability: 29.31x10^-24cm³; (16)Surface Tension: 72.7 dyne/cm; (17)Enthalpy of Vaporization: 90.23 kJ/mol; (18)Vapour Pressure: 6.29E-14 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(CO3)O)O)O
(2)Isomeric SMILES: CC1=CC(=O)OC2=C1C=CC(=C2)O[C@H]3[C@@H]([C@H]([C@@H](CO3)O)O)O
(3)InChI: InChI=1S/C15H16O7/c1-7-4-12(17)22-11-5-8(2-3-9(7)11)21-15-14(19)13(18)10(16)6-20-15/h2-5,10,13-16,18-19H,6H2,1H3/t10-,13+,14-,15+/m1/s1
(4)InChIKey: JWIYLOHVJDJZOQ-KAOXEZKKSA-N