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Neomycin Sulphate Impurity 5

CAT: 1299-RM-N150305-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-N150305-01Size:10 mg
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CAS Number
54617-39-9
Synonyms
N- (5-amino-2- ((3-amino-6- (aminomethyl) -4,5-dihydroxytetrahydro-2H-pyran-2-yl) oxy) -3,4-dihydroxycyclohexyl) acetamide
Molecular Formula
C14H28N4O7
Molecular Weight
364.4
Target Alternative Name
Neomycin

Chemical Information

3-Acetylneamine
CAS Number54617-39-9
PubChem CID101747419
IUPAC NameN-[(1S,2R,3R,4S,5R)-5-amino-2-[(2R,3R,4R,5S,6R)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3,4-dihydroxycyclohexyl]acetamide
Molecular FormulaC14H28N4O7
Molecular Weight364.39
XLogP-5.1
Topological Polar Surface Area207
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count10
Rotatable Bond Count4
Heavy Atom Count25
Formal Charge0
Complexity470
SMILES
CC(=O)N[C@H]1C[C@H]([C@@H]([C@H]([C@@H]1O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)N)O)O)N
InChI
InChI=1S/C14H28N4O7/c1-4(19)18-6-2-5(16)9(20)12(23)13(6)25-14-8(17)11(22)10(21)7(3-15)24-14/h5-14,20-23H,2-3,15-17H2,1H3,(H,18,19)/t5-,6+,7-,8-,9+,10-,11-,12-,13-,14-/m1/s1
InChIKey
YJZDNCZWNZNHGB-JPYLPOILSA-N
Chemical Structure
2D Structure
2D structure of 3-Acetylneamine
CAS: 54617-39-9
CID: 101747419
Formula: C14H28N4O7
MW: 364.39
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight364.39
XLogP3-5.1
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count10
Rotatable Bond Count4
Exact Mass364.19579924
Monoisotopic Mass364.19579924
Topological Polar Surface Area207 Ų
Heavy Atom Count25
Formal Charge0
Complexity470
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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