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Neamine hydrochloride

CAT: 0024-sc-338357CSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-338357CSize:50 mg
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CAS Number
15446-43-2

Chemical Information

Neamine hydrochloride
CAS Number15446-43-2
PubChem CID11784617
IUPAC Name(2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxyoxane-3,4-diol;tetrahydrochloride
Molecular FormulaC12H30Cl4N4O6
Molecular Weight468.2
Topological Polar Surface Area203
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count10
Rotatable Bond Count3
Heavy Atom Count26
Formal Charge0
Complexity378
SMILES
C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)N)O)O)N.Cl.Cl.Cl.Cl
InChI
InChI=1S/C12H26N4O6.4ClH/c13-2-5-8(18)9(19)6(16)12(21-5)22-11-4(15)1-3(14)7(17)10(11)20;;;;/h3-12,17-20H,1-2,13-16H2;4*1H/t3-,4+,5-,6-,7+,8-,9-,10-,11-,12-;;;;/m1..../s1
InChIKey
YHGAXELMYJIVJN-OXGCEHIISA-N
Chemical Structure
2D Structure
2D structure of Neamine hydrochloride
CAS: 15446-43-2
CID: 11784617
Formula: C12H30Cl4N4O6
MW: 468.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight468.2
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count10
Rotatable Bond Count3
Exact Mass468.088995
Monoisotopic Mass466.091945
Topological Polar Surface Area203 Ų
Heavy Atom Count26
Formal Charge0
Complexity378
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count5
Compound Is CanonicalizedYes

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