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CAS No.: | 79645-27-5 |
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Name: | Tobramycin sulfate |
Molecular Structure: | |
Formula: | C18H39N5O13S |
Molecular Weight: | 565.599 |
Synonyms: | Tobramycin sulfate; |
EINECS: | 256-499-2 |
Boiling Point: | 775.4 °C at 760 mmHg |
Flash Point: | 422.8 °C |
Solubility: | Soluble in water (50 mg/ml). |
Hazard Symbols: | 61-20/21/22:; |
Risk Codes: | 61-20/21/22 |
Safety: | 53-22-36/37/39-45-3/7/9 |
PSA: | 351.15000 |
LogP: | -2.36630 |
The Dartobcin, with the CAS registry number of 79645-27-5, is also known as Tobramycin sulfate. It belongs to the product categories of API's; AminoglycosidesAntibiotics; Antibacterial; Antibiotics; Antibiotics A to; Antibiotics by Application; Antibiotics T-ZAntibiotics; Antineoplastic and Immunosuppressive AntibioticsAntibiotics; Chemical Structure Class; Interferes with Protein SynthesisSpectrum of Activity; L - Z; Mechanism of Action. Its EINECS registry number is 256-499-2. This chemical's molecular formula is C18H39N5O13S and molecular weight is 565.59. What's more, its IUPAC name is 4-Amino-2-[4,6-diamino-3-[3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-(hydroxymethyl)oxane-3,5-diol; sulfuric acid and its systematic name is called (1S,2S,3R,4S,6R)-4,6-Diamino-3-[(2,6-diamino-2,3,6-trideoxy-α-D-ribo-hexopyranosyl)oxy]-2-hydroxycyclohexyl 3-amino-3-deoxy-α-D-glucopyranoside sulfate (1:1).
Physical properties about the Dartobcin are: (1)ACD/LogP: -3.41; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): -10.19; (4)ACD/LogD (pH 7.4): -8.72; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 14; (10) #H bond donors: 15; (11)#Freely Rotating Bonds: 16; (12)Polar Surface Area: 99.27 Å2; (13)Flash Point: 422.8 °C; (14)Enthalpy of Vaporization: 128.66 kJ/mol; (15)Boiling Point: 775.4 °C at 760 mmHg; (16)Vapour Pressure: 9.05E-28 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The dust of this chemical can not be breathed. And you should wear suitable protective clothing, gloves and eye/face protection when dealing with it. As a chemical, it may cause harm to the unborn child. If you feel unwell after using it, please seek medical advice immediately (show the label where possible). It is also harmful by inhalation, contact and swallow. Besides, you should keep the container tightly closed in a cool, well-ventilated place and avoid exposure - obtain special instructions before use.
You can still convert the following datas into molecular structure:
(1)SMILES:O=S(=O)(O)O.O([C@@H]2[C@@H](O)[C@H](O[C@H]1O[C@H](CN)[C@@H](O)C[C@H]1N)[C@@H](N)C[C@H]2N)[C@H]3O[C@@H]([C@@H](O)[C@H](N)[C@H]3O)CO
(2)InChI:InChI=1/C18H37N5O9.H2O4S/c19-3-9-8(25)2-7(22)17(29-9)31-15-5(20)1-6(21)16(14(15)28)32-18-13(27)11(23)12(26)10(4-24)30-18;1-5(2,3)4/h5-18,24-28H,1-4,19-23H2;(H2,1,2,3,4)/t5-,6+,7+,8-,9+,10+,11-,12+,13+,14-,15+,16-,17+,18+;/m0./s1
(3) InChIKey: ZEUUPKVZFKBXPW-TWDWGCDDBC