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Kasugamycin hydrochloride hydrate

CAT: 1568-C11505-25mgSize: 25 mgDry Ice: NoHazardous: No
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CAT#:1568-C11505-25mgSize:25 mg
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CAS Number
200132-83-8
Synonyms
Ksg hydrochloride hydrate
Target
Antibiotics
Applications
Microbiology
Smiles
O.Cl.CC1OC (OC2C (O) C (O) C (O) C (O) C2O) C (N) CC1NC (=N) C (O) =O
Molecular Formula
C14H28ClN3O10
Additionnal Information
Kasugamycin (Ksg) hydrochloride hydrate, an antibiotic which binds both the 30S and 70S ribosome, specifically inhibits translation initiation of canonical but not of leaderless messenger RNAs.
Storage Conditions
3 years -20°C powder

Chemical Information

Kasugamycin hydrochloride hydrate
CAS Number200132-83-8
PubChem CID57369825
IUPAC Name2-amino-2-[(2R,3S,5S,6R)-5-amino-2-methyl-6-[(2S,3S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyoxan-3-yl]iminoacetic acid;hydrate;hydrochloride
Molecular FormulaC14H28ClN3O10
Molecular Weight433.84
Topological Polar Surface Area222
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count12
Rotatable Bond Count4
Heavy Atom Count28
Formal Charge0
Complexity532
SMILES
C[C@@H]1[C@H](C[C@@H]([C@H](O1)OC2[C@@H]([C@H](C([C@@H]([C@@H]2O)O)O)O)O)N)N=C(C(=O)O)N.O.Cl
InChI
InChI=1S/C14H25N3O9.ClH.H2O/c1-3-5(17-12(16)13(23)24)2-4(15)14(25-3)26-11-9(21)7(19)6(18)8(20)10(11)22;;/h3-11,14,18-22H,2,15H2,1H3,(H2,16,17)(H,23,24);1H;1H2/t3-,4+,5+,6?,7+,8+,9-,10+,11?,14-;;/m1../s1
InChIKey
URDOPMVCASNBEZ-VHRLMMNYSA-N
Chemical Structure
2D Structure
2D structure of Kasugamycin hydrochloride hydrate
CAS: 200132-83-8
CID: 57369825
Formula: C14H28ClN3O10
MW: 433.84
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight433.84
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count12
Rotatable Bond Count4
Exact Mass433.1463218
Monoisotopic Mass433.1463218
Topological Polar Surface Area222 Ų
Heavy Atom Count28
Formal Charge0
Complexity532
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes