CAS No.6980-18-3,KASUGAMYCIN Suppliers

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Basic Information

Molecular Structure:
CAS No.:	6980-18-3
Name:	KASUGAMYCIN
Article Data:	3

Formula:	C₁₄H₂₅N₃O₉
Molecular Weight:	379.367
Synonyms:	Kasugamycin(8CI);KSM;Kasu B;Kasumin 2L;Kasumin L;α-D-arabino-hexopyranoside, (1α,2β,3α,4α,5β,6β)-2,3,4,5,6-pentahydroxycyclohexyl 2-amino-4-[(carboxyiminomethyl)amino]-2,3,4,6-tetradeoxy-;3-O-(2-Amino-4-((carboxyiminomethyl)amino)-2,3,4,6-tetradeoxy-a-D-arabino-hexopyranosyl)-D-chiro-inositol;(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-arabino-hexopyranoside;(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-arabino-hexopyranoside;
EINECS:	615-014-8
Density:	1.97 g/cm³
Melting Point:	203oC (dec)
Boiling Point:	585.9 °C at 760 mmHg
Flash Point:	308.2 °C
PSA:	218.81000
LogP:	-3.13710

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Consensus Reports

Reported in EPA TSCA Inventory.

Specification

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:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Source
mouse	LD50	oral	21gm/kg (21000mg/kg)	Pesticide Manual. Vol. 9, Pg. 515, 1991.
mouse	LD50	skin	> 10gm/kg (10000mg/kg)	Pesticide Manual. Vol. 9, Pg. 515, 1991.
quail	LD50	oral	> 4gm/kg (4000mg/kg)	Pesticide Manual. Vol. 9, Pg. 515, 1991.
rat	LD50	oral	11400mg/kg (11400mg/kg)	Science Reports of the Research Institutes, Tohoku University, Series C: Medicine. Vol. 36(1-4), Pg. 10, 1989.
rat	LD50	skin	> 4gm/kg (4000mg/kg)	Pesticide Manual. Vol. 9, Pg. 515, 1991.