CAS No.37321-09-8,APRAMYCIN Suppliers

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Basic Information

Molecular Structure:
CAS No.:	37321-09-8
Name:	APRAMYCIN
Article Data:	3

Formula:	C₂₁H₄₁N₅O₁₁
Molecular Weight:	539.583
Synonyms:	Ambylan;Apralan;Apralin;4-O-((8R)-2-Amino-8-O-(4-amino-4-deoxy-alpha-D-glucopyranosyl)-2,3,7-trideoxy-7-(methylamino)-D-glycero-alpha-D-allo-octodialdo-1,5:8,4-dipyranos-1-yl)-2-deoxy-D-streptamine;EL 857;EL 857/820;Nebramycin II;Nebramycin factor 2;
EINECS:	253-460-1
Density:	1.6±0.1 g/cm³
Boiling Point:	823.0±65.0 °C at 760 mmHg
Flash Point:	451.6±34.3 °C
PSA:	283.64000
LogP:	-3.75720

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Specification

The Apramycin, with the CAS registry number 37321-09-8, is also known as 4-O-((8R)-2-Amino-8-O-(4-amino-4-deoxy-alpha-D-glucopyranosyl)-2,3,7-trideoxy-7-(methylamino)-D-glycero-alpha-D-allo-octodialdo-1,5:8,4-dipyranos-1-yl)-2-deoxy-D-streptamine. It belongs to the product category of Peptide Synthesis/Antibiotics. Its EINECS number is 253-460-1. This chemical's molecular formula is C₂₁H₄₁N₅O₁₁ and molecular weight is 539.58. What's more, its systematic name is (2R,3S,4R,4aR,6S,7R,8aS)-7-Amino-6-{[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy}-4-hydroxy-3-(methylamino)octahydropyrano[3,2-b]pyran-2-yl 4-amino-4-deoxy-α-D-glucopyranoside. This chemical should be sealed and stored in a cool and dry place. It is used to modify proteins. Its classification codes are: (1)Antibacterial; (2)Drug / Therapeutic Agent. It is a most complex of the nebramycin factors. This chemical is an aminoglycoside antibiotic used in veterinary medicine.

Physical properties of Apramycin are: (1)ACD/LogP: -2.45±0.87; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): -9.36; (4)ACD/LogD (pH 7.4): -6.59; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 16; (10)#H bond donors: 15; (11)#Freely Rotating Bonds: 16; (12)Polar Surface Area: 283.64 Å²; (13)Index of Refraction: 1.658; (14)Molar Refractivity: 126.8±0.4 cm³; (15)Molar Volume: 344.4±5.0 cm³; (16)Polarizability: 50.3±0.5×10^-24cm³; (17)Surface Tension: 93.0±5.0 dyne/cm; (18)Density: 1.6±0.1 g/cm³; (19)Flash Point: 451.6±34.3 °C; (20)Enthalpy of Vaporization: 136.1±6.0 kJ/mol; (21)Boiling Point: 823.0±65.0 °C at 760 mmHg; (22)Vapour Pressure: 0.0±0.6 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CN[C@H]1[C@H]([C@@H]2[C@H](C[C@H]([C@H](O2)O[C@@H]3[C@H](C[C@H]([C@@H]([C@H]3O)O)N)N)N)O[C@@H]1O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)N)O)O)O
(2)Std. InChI: InChI=1S/C21H41N5O11/c1-26-11-14(30)18-8(33-20(11)37-21-16(32)13(29)10(25)9(4-27)34-21)3-7(24)19(36-18)35-17-6(23)2-5(22)12(28)15(17)31/h5-21,26-32H,2-4,22-25H2,1H3/t5-,6+,7-,8+,9-,10-,11+,12+,13+,14-,15-,16-,17-,18+,19+,20-,21-/m1/s1
(3)Std. InChIKey: XZNUGFQTQHRASN-XQENGBIVSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intravenous	280mg/kg (280mg/kg)		"Structure-Activity Relationship among the Semisynthetic Antibiotics," Perlman, D., ed., New York, Academic Press, 1977Vol. -, Pg. 239, 1977.