4-Methylumbelliferyl beta-D-mannopyranoside (67909-30-2)

The 4-Methylumbelliferyl beta-D-mannopyranoside, with the CAS registry number 67909-30-2, is also known as para-Methylumbelliferyl-beta-D-mannopyranoside. It belongs to the product categories of Carbohydrates & Derivatives; Fluorescent Labels & Indicators. This chemical's molecular formula is C₁₆H₁₈O₈ and molecular weight is 338.31. Its IUPAC name is called 4-methyl-7-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one. This chemical which is off-white powder can be used as substrate for mannosidase.

Physical properties about this chemical are: (1)ACD/LogP: -0.46; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 8; (4)#H bond donors: 4; (5)#Freely Rotating Bonds: 7; (6)Index of Refraction: 1.641; (7)Molar Refractivity: 80.17 cm³; (8)Molar Volume: 222.1 cm³; (9)Surface Tension: 73.1 dyne/cm; (10)Density: 1.522 g/cm³; (11)Flash Point: 233.9 °C; (12)Enthalpy of Vaporization: 97.54 kJ/mol; (13)Boiling Point: 626.9 °C at 760 mmHg; (14)Vapour Pressure: 1.39E-16 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(C(O3)CO)O)O)O
(2)Isomeric SMILES: CC1=CC(=O)OC2=C1C=CC(=C2)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
(3)InChI: InChI=1S/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
(4)InChIKey: YUDPTGPSBJVHCN-NZBFACKJSA-N