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Kanamycin D

CAT: 1596-AR-K01010-06Size: 250 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-K01010-06Size:250 Units
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CAS Number
31077-69-7
Synonyms
(2R,3S,4S,5R,6R) -2- (aminomethyl) -6- (((1R,2S,3S,4R,6S) -4,6-diamino-2-hydroxy-3- (((2S,3R,4S,5S,6R) -3,4,5-trihydroxy-6- (hydroxymethyl) tetrahydro-2H-pyran-2-yl) oxy) cyclohexyl) oxy) tetrahydro-2H-pyran-3,4,5-triol; Kanamycin D; 3''-deamino-3''-hydroxykanamycin A
Molecular Formula
C18H35N3O12
Molecular Weight
485.49
API Name
Kanamycin

Chemical Information

Kanamycin D

Kanamycin D is a kanamycin that is kanamycin A in which the 3''-amino group is replaced by a hydroxy group. It is functionally related to a kanamycin A. It is a conjugate base of a kanamycin D(3+).

CAS Number31077-69-7
PubChem CID10368104
IUPAC Name(2R,3S,4S,5R,6R)-2-(aminomethyl)-6-[(1R,2S,3S,4R,6S)-4,6-diamino-2-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexyl]oxyoxane-3,4,5-triol
Molecular FormulaC18H35N3O12
Molecular Weight485.5
XLogP-6.7
Topological Polar Surface Area277
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count15
Rotatable Bond Count6
Heavy Atom Count33
Formal Charge0
Complexity636
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)CO)O)O)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)O)N
InChI
InChI=1S/C18H35N3O12/c19-2-6-8(23)10(25)12(27)17(30-6)32-15-4(20)1-5(21)16(14(15)29)33-18-13(28)11(26)9(24)7(3-22)31-18/h4-18,22-29H,1-3,19-21H2/t4-,5+,6+,7+,8+,9+,10-,11-,12+,13+,14-,15+,16-,17+,18+/m0/s1
InChIKey
NZCOZAMBHLSNDW-HNDNCJINSA-N
Chemical Structure
2D Structure
2D structure of Kanamycin D
CAS: 31077-69-7
CID: 10368104
Formula: C18H35N3O12
MW: 485.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight485.5
XLogP3-6.7
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count15
Rotatable Bond Count6
Exact Mass485.22207356
Monoisotopic Mass485.22207356
Topological Polar Surface Area277 Ų
Heavy Atom Count33
Formal Charge0
Complexity636
Isotope Atom Count0
Defined Atom Stereocenter Count15
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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