D-chiro-Inositol,3-O-[2-amino-4-[(carboxyiminomethyl)amino]-2,3,4,6-tetradeoxy-a-D-arabino-hexopyranosyl]-

Reported in EPA TSCA Inventory.

The Kasugamycin, with the CAS registry number 6980-18-3, has the systematic name of (1S,2R,3S,4R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl 2-amino-4-{[carboxy(imino)methyl]amino}-2,3,4,6-tetradeoxy-α-D-lyxo-hexopyranoside. It is an aminoglycoside antibiotic. And the molecular formula of this chemical is C₁₄H₂₅N₃O₉.

The physical properties of Kasugamycin are as following: (1)# of Rule of 5 Violations: 2; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 12; (7)#H bond donors: 10; (8)#Freely Rotating Bonds: 10; (9)Polar Surface Area: 218.81 Å²; (10)Index of Refraction: 1.738; (11)Molar Refractivity: 77.4 cm³; (12)Molar Volume: 192.2 cm³; (13)Polarizability: 30.68×10^-24cm³; (14)Surface Tension: 88.5 dyne/cm; (15)Density: 1.97 g/cm³; (16)Flash Point: 308.2 °C; (17)Enthalpy of Vaporization: 100.47 kJ/mol; (18)Boiling Point: 585.9 °C at 760 mmHg; (19)Vapour Pressure: 3.6E-16 mmHg at 25°C.

Preparation of Kasugamycin: It is the metabolite of Actinomycetes microaurous. And can be obtained by the pure liquid submerged fermentation using soybean cake meal, malt extract, seed fat and dusty yeast as raw materials.

Uses of Kasugamycin: It is a kind of antibiotic both used in agriculture and medicina, and has a effective inhibition to Magnaporthe grisea. Besides, it is also used for the control of anthrax in cucumber and broomcorn, and leaf mold in tomato. In addition, it is used in pseudomonas infections, and interfers with protein synthesis in susceptible Escherichia coli.

You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)C(=N)N[C@H]2C[C@H](N)[C@@H](O[C@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H]1O)O[C@@H]2C
(2)InChI: InChI=1/C14H25N3O9/c1-3-5(17-12(16)13(23)24)2-4(15)14(25-3)26-11-9(21)7(19)6(18)8(20)10(11)22/h3-11,14,18-22H,2,15H2,1H3,(H2,16,17)(H,23,24)/t3-,4+,5+,6-,7+,8+,9-,10+,11+,14-/m1/s1
(3)InChIKey: PVTHJAPFENJVNC-MHRBZPPQBX

The toxicity data is as follows: