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130100-20-8

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Basic Information
CAS No.: 130100-20-8
Name: Mag-Fura-2, AM
Molecular Structure:
Molecular Structure of 130100-20-8 (Mag-Fura-2, AM)
Formula: C30H30N2O19
Molecular Weight: 722.5612
Synonyms: Mag-fura-2-acetoxymethyl ester;
Density: 1.436 g/cm3
Melting Point: >200℃
Boiling Point: 797.5 °C at 760 mmHg
Flash Point: 436.1 °C
PSA: 317.88000
LogP: 2.46780
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Specification

The Mag-Fura-2, AM, with the CAS registry number of 130100-20-8, is also known as Mag-fura-2-acetoxymethyl ester. Its molecular formula is C30H30N2O19 and molecular weight is 722.5612. What's more, its IUPAC name is Acetyloxymethyl 2-[5-[2-(acetyloxymethoxy)-2-oxoethoxy]-6-[bis[2-(acetyloxymethoxy)-2-oxoethyl]amino]-1-benzofuran-2-yl]-1,3-oxazole-5-carboxylate. It is used to measure intracellular free magnesium concentration.

Physical properties about the Mag-Fura-2, AM are: (1)ACD/LogP: 0.88; (2)# of Rule of 5 Violations: 2; (3)#H bond acceptors: 21; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 26; (6)Polar Surface Area: 262.04 Å2; (7)Index of Refraction: 1.554; (8)Molar Refractivity: 161.42 cm3; (9)Molar Volume: 503 cm3; (10)Surface Tension: 56.6 dyne/cm; (11)Density: 1.436 g/cm3; (12)Flash Point: 436.1 °C; (13)Enthalpy of Vaporization: 115.97 kJ/mol; (14)Boiling Point: 797.5 °C at 760 mmHg; (15)Vapour Pressure: 1.96E-25 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCOC(=O)CN(c3c(OCC(=O)OCOC(=O)C)cc1c(oc(c1)c2ncc(o2)C(=O)OCOC(=O)C)c3)CC(=O)OCOC(=O)C)C
(2) InChI: InChI=1/C30H30N2O19/c1-16(33)42-12-46-26(37)9-32(10-27(38)47-13-43-17(2)34)21-7-22-20(5-23(21)41-11-28(39)48-14-44-18(3)35)6-24(50-22)29-31-8-25(51-29)30(40)49-15-45-19(4)36/h5-8H,9-15H2,1-4H3
(3) InChIKey: PCDUVTXECKTHBH-UHFFFAOYAM