Basic information
- Name:
Framycetin sulphate
- CAS No.:
4146-30-9
- Molecular Structure:
- Formula:
- C23H46N6O13.H2SO4
- Molecular Weight:
- 712.28
- Synonyms:
- (2R,3S,4S,5S,6S)-5-amino-2-(aminomethyl)-6-[(2R,3R,4R,5S)-5-[(1S,2R,3S,5R,6S)-3,5-diamino-2-[(2R,3R,4R,5R,6R)-3-amino-6-(aminomethyl)-4,5-dihydroxy-oxan-2-yl]oxy-6-hydroxy-cyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-oxane-3,4-diol; sulfuric acid;Neomycin sulphate B（Framycetin sulphate）;Neomycin sulphate B;
- EINECS:
- 223-969-3
- Boiling Point:
- 927.1 °C at 760 mmHg
- Flash Point:
- 514.5 °C
- particular:
- particular
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Specification
The IUPAC name of Framycetin sulphate is (2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2-[(2S,3R,4S,5R)-4-[(2S,3S,4S,5R,6R)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol; sulfuric acid. With the CAS registry number 4146-30-9, it is also named as Neomycin sulphate B. Besides, it is white to yellowish powder. In addition, its molecular formula is C23H48N6O17S and its molecular weight is 712.72.
The other characteristics of Framycetin sulphate can be summarized as: (1)EINECS: 223-969-3; (2)H-Bond Donor: 15; (3)H-Bond Acceptor: 23; (4)Rotatable Bond Count: 9; (5)Exact Mass: 712.279665; (6)MonoIsotopic Mass: 712.279665; (7)Topological Polar Surface Area: 436; (8)Heavy Atom Count: 47; (9)Complexity: 953; (10)Isotope Atom Count: 0; (11)Defined Atom StereoCenter Count: 19; (12)Flash Point: 514.5 °C; (13)Enthalpy of Vaporization: 153.02 kJ/mol; (14)Boiling Point: 927.1 °C at 760 mmHg; (15)Vapour Pressure: 0 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: O=S(=O)(O)O.O([C@H]3[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@H]1O[C@@H](CN)[C@@H](O)[C@H](O)[C@H]1N)[C@H]2O)[C@@H](O)[C@H](N)C[C@@H]3N)[C@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4N)CN
(2)InChI: InChI=1/C23H46N6O13.H2O4S/c24-2-7-13(32)15(34)10(28)21(37-7)40-18-6(27)1-5(26)12(31)20(18)42-23-17(36)19(9(4-30)39-23)41-22-11(29)16(35)14(33)8(3-25)38-22;1-5(2,3)4/h5-23,30-36H,1-4,24-29H2;(H2,1,2,3,4)/t5-,6+,7-,8+,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+;/m1./s1
(3)InChIKey: OIXVKQDWLFHVGR-WQDIDPJDBL