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123632-39-3

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Basic Information
CAS No.: 123632-39-3
Name: FLUO 3
Molecular Structure:
Molecular Structure of 123632-39-3 (FLUO 3)
Formula: C36H30Cl2N2O13
Molecular Weight: 769.535
Synonyms: 2-[2-[2-[2-[bis(carboxymethyl)amino]-5-(2,7-dichloro-3-hydroxy-6-oxoxanthen-9-yl)phenoxy]ethoxy]-N-(carboxymethyl)-4-methylanilino]acetic acid;
Density: 1.66 g/cm3
Melting Point: >250℃
Boiling Point: 1056 °C at 760 mmHg
Flash Point: 592.4 °C
Solubility: H2O: soluble
Appearance: Fluorescent?indicator?for?calcium?used?in?flow?cytometry.?Fluorescence
PSA: 224.58000
LogP: 5.29460
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    Zhejiang Jiuzhou Chemical Co.,Ltd is a market-oriented and innovation-driven biopharmaceutical company. The company is focusing on the R&D, manufacturing and sales of pharmaceutica

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    In 1846 the entrepreneur Mansuke Nakarai founded his apothecary business for Japanese and Chinese medicines. In 1906 the company started business activities for Western pharmaceuti

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Specification

The CAS registry number of Glycine,N-[2-[2-[2-[bis(carboxymethyl)amino]-5-(2,7-dichloro-6-hydroxy-3-oxo-3H-xanthen-9-yl)phenoxy]ethoxy]-4-methylphenyl]-N-(carboxymethyl)- is 123632-39-3. In addition, the molecular formula is C36H30Cl2N2O13 and the molecular weight is 769.54. The IUPAC name is 2-[2-[2-[2-[bis(carboxymethyl)amino]-5-(2,7-dichloro-3-hydroxy-6-oxoxanthen-9-yl)phenoxy]ethoxy]-N-(carboxymethyl)-4-methylanilino]acetic acid. What's more, it should be stored in a cool and dry place.

Physical properties about Glycine,N-[2-[2-[2-[bis(carboxymethyl)amino]-5-(2,7-dichloro-6-hydroxy-3-oxo-3H-xanthen-9-yl)phenoxy]ethoxy]-4-methylphenyl]-N-(carboxymethyl)- are: (1)ACD/LogP: 3.25; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): -1.8; (4)ACD/LogD (pH 7.4): -3.22; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 15; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 17; (12)Polar Surface Area: 165.67 Å2; (13)Index of Refraction: 1.733; (14)Molar Refractivity: 185.13 cm3; (15)Molar Volume: 462.1 cm3; (16)Polarizability: 73.39 ×10-24cm3; (17)Surface Tension: 97.3 dyne/cm; (18)Density: 1.66 g/cm3; (19)Flash Point: 592.4 °C; (20)Enthalpy of Vaporization: 161.96 kJ/mol; (21)Boiling Point: 1056 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CN(c5ccc(cc5OCCOc4c(N(CC(=O)O)CC(=O)O)ccc(C=1c3c(OC=2C=1\C=C(\Cl)C(=O)C=2)cc(O)c(Cl)c3)c4)C)CC(=O)O
(2)InChI: InChI=1/C36H30Cl2N2O13/c1-18-2-4-24(39(14-32(43)44)15-33(45)46)30(8-18)51-6-7-52-31-9-19(3-5-25(31)40(16-34(47)48)17-35(49)50)36-20-10-22(37)26(41)12-28(20)53-29-13-27(42)23(38)11-21(29)36/h2-5,8-13,41H,6-7,14-17H2,1H3,(H,43,44)(H,45,46)(H,47,48)(H,49,50)
(3)InChIKey: OZLGRUXZXMRXGP-UHFFFAOYAI