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Tobramycin sulfate

CAT: 0024-sc-205865Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-205865Size:100 mg
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CAS Number
79645-27-5

Chemical Information

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 sulfate
CAS Number79645-27-5
PubChem CID54413
IUPAC Name4-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
Molecular FormulaC18H39N5O13S
Molecular Weight565.6
Topological Polar Surface Area351
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count18
Rotatable Bond Count6
Heavy Atom Count37
Formal Charge0
Complexity690
SMILES
C1C(C(C(C(C1N)OC2C(C(C(C(O2)CO)O)N)O)O)OC3C(CC(C(O3)CN)O)N)N.OS(=O)(=O)O
InChI
InChI=1S/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)
InChIKey
ZEUUPKVZFKBXPW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 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 sulfate
CAS: 79645-27-5
CID: 54413
Formula: C18H39N5O13S
MW: 565.6
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight565.6
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count18
Rotatable Bond Count6
Exact Mass565.22650749
Monoisotopic Mass565.22650749
Topological Polar Surface Area351 Ų
Heavy Atom Count37
Formal Charge0
Complexity690
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count14
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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