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6"'-Deamino-6"'-hydroxyneomycin B

CAT: 0013-GTR19256018-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19256018-01Size:10 mg
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Description
6"'-Deamino-6"'-hydroxyneomycin B is an aminoglycoside antibiotic produced by [Streptomyces fradiaeUC 75]. It is effective against both Gram-positive and Gram-negative bacteria and serves as an intermediate in the biosynthesis of neomycin.
CAS Number
78524-73-9
Field of Research
Infectious Disease & Virology
Smiles
O ([C@H]1[C@H] (O[C@H]2[C@H] (O) [C@H] (O[C@H]3O[C@@H] (CO) [C@@H] (O) [C@H] (O) [C@H]3N) [C@@H] (CO) O2) [C@@H] (O) [C@H] (N) C[C@@H]1N) [C@H]4O[C@H] (CN) [C@@H] (O) [C@H] (O) [C@H]4N
Molecular Formula
C23H45N5O14
Molecular Weight
615.628
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

6'''-Deamino-6'''-hydroxyneomycin B

structure given in first source

CAS Number78524-73-9
PubChem CID197220
IUPAC Name5-amino-2-(aminomethyl)-6-[4,6-diamino-2-[4-[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol
Molecular FormulaC23H45N5O14
Molecular Weight615.6
XLogP-8.7
Topological Polar Surface Area347
Hydrogen Bond Donor Count13
Hydrogen Bond Acceptor Count19
Rotatable Bond Count9
Heavy Atom Count42
Formal Charge0
Complexity870
SMILES
C1C(C(C(C(C1N)OC2C(C(C(C(O2)CN)O)O)N)OC3C(C(C(O3)CO)OC4C(C(C(C(O4)CO)O)O)N)O)O)N
InChI
InChI=1S/C23H45N5O14/c24-2-7-13(32)15(34)10(27)21(37-7)40-18-6(26)1-5(25)12(31)20(18)42-23-17(36)19(9(4-30)39-23)41-22-11(28)16(35)14(33)8(3-29)38-22/h5-23,29-36H,1-4,24-28H2
InChIKey
LJQMKWFPBUGQOO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6'''-Deamino-6'''-hydroxyneomycin B
CAS: 78524-73-9
CID: 197220
Formula: C23H45N5O14
MW: 615.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight615.6
XLogP3-8.7
Hydrogen Bond Donor Count13
Hydrogen Bond Acceptor Count19
Rotatable Bond Count9
Exact Mass615.29630113
Monoisotopic Mass615.29630113
Topological Polar Surface Area347 Ų
Heavy Atom Count42
Formal Charge0
Complexity870
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count19
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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