Monensin sodium salt

The IUPAC name of Monensin sodium is (2S,3R,4S)-4-[(3S,5R,7S,8R,9S)-3-[(2R,5S)-5-ethyl-5-[(2R,3S,5R)-5-[(2S,3S,5R,6R)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-3-methyloxolan-2-yl]oxolan-2-yl]-7-hydroxy-3,8-dimethyl-4,10-dioxaspiro[4.5]decan-9-yl]-3-methoxy-2-methylpentanoic acid. With the CAS registry number 22373-78-0, it is also named as Monensin sodium salt. The product's category is Organics, and the other registry number is 22136-43-2. Besides, it is light cream amorphous powder, which should be stored at 2-8 °C. In addition, its molecular formula is C₃₆H₆₁NaO₁₁ and molecular weight is 692.86.

The other characteristics of this product can be summarized as: (1)EINECS: 244-941-7; (2)ACD/LogP: 3.72; (3)# of Rule of 5 Violations: 2; (4)ACD/LogD (pH 5.5): 2.45; (5)ACD/LogD (pH 7.4): 0.66; (6)ACD/BCF (pH 5.5): 21.09; (7)ACD/BCF (pH 7.4): 1; (8)ACD/KOC (pH 5.5): 134.37; (9)ACD/KOC (pH 7.4): 2.23; (10)#H bond acceptors: 11; (11)#H bond donors: 4; (12)#Freely Rotating Bonds: 13; (13)Polar Surface Area: 120.37 Å²; (14)Flash Point: 229.2 °C; (15)Melting Point: 267-269 °C; (16)alpha: 57.3 °(c=4.0, in MeOH); (17)Enthalpy of Vaporization: 127.25 kJ/mol; (18)Boiling Point: 766.3 °C at 760 mmHg; (19)Vapour Pressure: 4.13E-27 mmHg at 25 °C.

Uses of Monensin sodium: this chemical is an antiprotozoal agent produced by Streptomyces cinnamonensis. Similarly, it is a sodium and proton selective ionophore and is widely used as such in biochemical studies.

When you are using this chemical, please be cautious about it as the following: it is very Toxic by inhalation, in contact with skin and if swallowed. Please do not breathe dust. And you should wear suitable protective clothing, gloves and eye/face protection. Moreover, in case of accident or if you feel unwell, seek medical advice immediately (show label where possible).

People can use the following data to convert to the molecule structure.
(1)SMILES: [Na+].[O-]C(=O)C(C)[C@H](OC)[C@H](C)[C@H]5O[C@]1(O[C@@](C)(CC1)[C@@H]2O[C@@](CC)(CC2)[C@@H]4O[C@@H]([C@H]3O[C@@](O)(CO)[C@@H](C[C@@H]3C)C)C[C@@H]4C)C[C@H](O)[C@H]5C
(2)InChI: InChI=1/C36H62O11.Na/c1-10-34(31-20(3)16-26(43-31)28-19(2)15-21(4)36(41,18-37)46-28)12-11-27(44-34)33(8)13-14-35(47-33)17-25(38)22(5)30(45-35)23(6)29(42-9)24(7)32(39)40;/h19-31,37-38,41H,10-18H2,1-9H3,(H,39,40);/q;+1/p-1/t19-,20-,21+,22+,23-,24,25-,26+,27+,28-,29+,30-,31+,33-,34-,35+,36-;/m0./s1
(3)InChIKey: XOIQMTLWECTKJL-DNJOVKTJBE

The toxicity data is as follows: