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Basic Information

Molecular Structure:
CAS No.:	56092-81-0
Name:	Ionomycin
Article Data:	2

Formula:	C₄₁H₇₂O₉
Molecular Weight:	709.017
Synonyms:	Ionomycin from streptomyces conglobatus;10,16-Docosadienoic acid,11,19,21-trihydroxy-4,6,8,12,14,18,20-heptamethyl-22-[octahydro-5'-(1-hydroxyethyl)-2,5'-dimethyl[2,2'-bifuran]-5-yl]-9-oxo-,[2S-[2a[2'S,5'R(S)],5b(4S,6R,8R,10Z,12S,14S,16E,18S,19S,20R,21R)]]-;SQ 23377;[2S-[2a[2'S,5'R(S)],5b(4S,6R,8R,10Z,12S,14S,16E,18S,19S,20R,21R)]]-11,19,21-Trihydroxy-4,6,8,12,14,18,20-heptamethyl-22-[octahydro-5'-(1-hydroxyethyl)-2,5'-dimethyl[2,2'-bifuran]-5-yl]-9-oxo-10,16-docosadienoicacid;Ionomycin calcium salt from streptomyces conglobatus;
Density:	1.072 g/cm³
Boiling Point:	817.2 °C at 760 mmHg
Flash Point:	235.2 °C
Solubility:	Soluble in Methanol and DSMO
Appearance:	Pale Yellow Oil
Hazard Symbols:	Xn,Xi
Risk Codes:	22-36/37/38
Safety:	36-36/37/39-27-26
PSA:	153.75000
LogP:	7.79960

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Specification

The Ionomycin, with the CAS registry number 56092-81-0, is also known as Ionomycin, free acid, streptomyces conglobatus. It belongs to the product categories of Miscellaneous More Close; A-K Research Essentials; Antibacterial; Antibiotics A to; Antibiotics by Application; Antibiotics G-MAntibiotics; AntibioticsAntibiotics; Antineoplastic and Immunosuppressive Antibiotics; Chemical Structure Class; Core Bioreagents; Interferes with Cell Membrane Permeability (Ionophores) Antibiotics; Mechanism of Action; Spectrum of Activity; Calcium channel; Ion Channels. This chemical's molecular formula is C₄₁H₇₂O₉ and molecular weight is 709.01. What's more, its systematic name is (4R,6S,8S,10Z,12R,14R,16E,18S,19S,20R,21S)-11,19,21-Trihydroxy-22-[(2S,5S)-5-[(2S,5R)-5-[(1S)-1-hydroxyethyl]-5-methyl-tetrahydrofuran-2-yl]-5-methyl-tetrahydrofuran-2-yl]-4,6,8,12,14,18,20-heptamethyl-9-oxo-docosa-10,16-dienoic acid. Its classification codes are: Drug / Therapeutic Agent; Ionophores; Membrane Transport Modulators; Natural Product. What's more, it should be stored at the temperature of -20 °C.

Physical properties of Ionomycin are: (1)ACD/LogP: 6.18; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): 5.37; (4)ACD/LogD (pH 7.4): 3.53 ; (5)#H bond acceptors: 9; (6)#H bond donors: 5; (7)#Freely Rotating Bonds: 26; (8)Polar Surface Area: 153.75 Å²; (9)Index of Refraction: 1.511; (10)Molar Refractivity: 198.34 cm³; (11)Molar Volume: 661 cm³; (12)Polarizability: 78.62×10^-24cm³; (13)Surface Tension: 42.6 dyne/cm; (14)Density: 1.072 g/cm³; (15)Flash Point: 235.2 °C; (16)Enthalpy of Vaporization: 135.21 kJ/mol; (17)Boiling Point: 817.2 °C at 760 mmHg; (18)Vapour Pressure: 6.15E-31 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is harmful to your health you can't swallow it. Besides, it is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice, and if it your clothes are contaminated by it, take off immediately all contaminated clothing. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(CCC(=O)O)CC(C)CC(C)C(=O)C=C(C(C)CC(C)CC=CC(C)C(C(C)C(CC1CCC(O1)(C)C2CCC(O2)(C)C(C)O)O)O)O
(2)InChI: InChI=1S/C41H72O9/c1-25(21-29(5)34(43)24-35(44)30(6)22-27(3)20-26(2)14-15-38(46)47)12-11-13-28(4)39(48)31(7)36(45)23-33-16-18-41(10,49-33)37-17-19-40(9,50-37)32(8)42/h11,13,24-33,36-37,39,42-43,45,48H,12,14-23H2,1-10H3,(H,46,47)/b13-11+,34-24-/t25-,26-,27+,28+,29-,30+,31-,32+,33+,36+,37+,39+,40-,41+/m1/s1
(3)InChIKey: PGHMRUGBZOYCAA-GJQVHLORSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	subcutaneous	28mg/kg (28mg/kg)		Journal of Antibiotics. Vol. 31, Pg. 815, 1978.