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G-418 disulfate 5g

CAT: 0628-A21002-5000Size: 5000 mgDry Ice: NoHazardous: No
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CAT#:0628-A21002-5000Size:5000 mg
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CAS Number
108321-42-2

Chemical Information

(2S,3S,4S,5S)-2-((1S,2S,3R,4S,6R)-4,6-diamino-3-((2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(1-hydroxyethyl)oxan-2-yl)oxy-2-hydroxycyclohexyl)oxy-5-methyl-4-(methylamino)oxane-3,5-diol;sulfuric acid
CAS Number108321-42-2
PubChem CID16218858
IUPAC Name(2S,3S,4S,5S)-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(1-hydroxyethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol;sulfuric acid
Molecular FormulaC20H44N4O18S2
Molecular Weight692.7
Topological Polar Surface Area414
Hydrogen Bond Donor Count14
Hydrogen Bond Acceptor Count22
Rotatable Bond Count6
Heavy Atom Count44
Formal Charge0
Complexity763
SMILES
CC([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@H]3[C@H]([C@@H]([C@](CO3)(C)O)NC)O)N)N)N)O)O)O.OS(=O)(=O)O.OS(=O)(=O)O
InChI
InChI=1S/C20H40N4O10.2H2O4S/c1-6(25)14-11(27)10(26)9(23)18(32-14)33-15-7(21)4-8(22)16(12(15)28)34-19-13(29)17(24-3)20(2,30)5-31-19;2*1-5(2,3)4/h6-19,24-30H,4-5,21-23H2,1-3H3;2*(H2,1,2,3,4)/t6?,7-,8+,9+,10+,11-,12-,13-,14+,15+,16-,17-,18+,19-,20+;;/m0../s1
InChIKey
UHEPSJJJMTWUCP-NKCAIAFTSA-N
Chemical Structure
2D Structure
2D structure of (2S,3S,4S,5S)-2-((1S,2S,3R,4S,6R)-4,6-diamino-3-((2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(1-hydroxyethyl)oxan-2-yl)oxy-2-hydroxycyclohexyl)oxy-5-methyl-4-(methylamino)oxane-3,5-diol;sulfuric acid
CAS: 108321-42-2
CID: 16218858
Formula: C20H44N4O18S2
MW: 692.7
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight692.7
Hydrogen Bond Donor Count14
Hydrogen Bond Acceptor Count22
Rotatable Bond Count6
Exact Mass692.20920291
Monoisotopic Mass692.20920291
Topological Polar Surface Area414 Ų
Heavy Atom Count44
Formal Charge0
Complexity763
Isotope Atom Count0
Defined Atom Stereocenter Count14
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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