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4-Methylumbelliferyl beta-D-xylopyranoside

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Name

4-Methylumbelliferyl beta-D-xylopyranoside

EINECS 229-784-4
CAS No. 6734-33-4 Density 1.514 g/cm3
PSA 109.36000 LogP -0.08080
Solubility soluble in water Melting Point 223 °C
Formula C15H16O7 Boiling Point 572.1 °C at 760 mmHg
Molecular Weight 308.288 Flash Point 217.3 °C
Transport Information N/A Appearance white to almost white powder
Safety 22-24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 6734-33-4 (4-METHYLUMBELLIFERYL-BETA-D-XYLOPYRANOSIDE) Hazard Symbols N/A
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;

Article Data 7

4-Methylumbelliferyl beta-D-xylopyranoside 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

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