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108964-32-5

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Basic Information
CAS No.: 108964-32-5
Name: Fura 2-AM
Molecular Structure:
Molecular Structure of 108964-32-5 (Fura 2-AM)
Formula: C44H47N3O24
Molecular Weight: 1001.85
Synonyms: Fura 2acetoxymethyl ester;Fura 2AM;acetoxymethyl 2-[6-[bis[2-(acetoxymethoxy)-2-oxo-ethyl]amino]-5-[2-[2-[bis[2-(acetoxymethoxy)-2-oxo-ethyl]amino]-5-methyl-phenoxy]ethoxy]benzofuran-2-yl]oxazole-5-carboxylate;FURA 2/AM;Fura-2(AM);Fura-2 pentakis(acetoxymethyl) ester;
Density: 1.4 g/cm3
Melting Point: >250℃
Boiling Point: 975.9 °C at 760 mmHg
Flash Point: 544 °C
PSA: 327.11000
LogP: 2.39940
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Specification

The Fura 2-AM, with the cas registry number 108964-32-5, has the systematic name of acetoxymethyl 2-[6-[bis[2-(acetoxymethoxy)-2-oxo-ethyl]amino]-5-[2-[2-[bis[2-(acetoxymethoxy)-2-oxo-ethyl]amino]-5-methyl-phenoxy]ethoxy]benzofuran-2-yl]oxazole-5-carboxylate. It should be stored at -20°C. And the molecular formula of the chemical is C44H47N3O24.

The characteristics of this chemical are as followings: (1)ACD/LogP: 3.27; (2)# of Rule of 5 Violations: 2 ; (3)#H bond acceptors: 27; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 37; (6)Polar Surface Area: 327.11 Å2; (7)Index of Refraction: 1.566; (8)Molar Refractivity: 233.52 cm3; (9)Molar Volume: 715.1 cm3; (10)Polarizability: 92.57×10-24cm3; (11)Surface Tension: 56.4 dyne/cm; (12)Density: 1.4 g/cm3; (13)Flash Point: 544 °C; (14)Enthalpy of Vaporization: 142.38 kJ/mol; (15)Boiling Point: 975.9 °C at 760 mmHg; (16)Vapour Pressure: 0 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OCOC(=O)CN(c4ccc(cc4OCCOc3cc1c(oc(c1)c2ncc(o2)C(=O)OCOC(=O)C)cc3N(CC(=O)OCOC(=O)C)CC(=O)OCOC(=O)C)C)CC(=O)OCOC(=O)C)C
(2)InChI: InChI=1/C44H47N3O24/c1-25-7-8-32(46(16-39(53)65-20-60-26(2)48)17-40(54)66-21-61-27(3)49)35(11-25)58-9-10-59-36-12-31-13-37(43-45-15-38(71-43)44(57)69-24-64-30(6)52)70-34(31)14-33(36)47(18-41(55)67-22-62-28(4)50)19-42(56)68-23-63-29(5)51/h7-8,11-15H,9-10,16-24H2,1-6H3
(3)InChIKey: VPSRLGDRGCKUTK-UHFFFAOYAI