Neomycin B

CAT: 1596-AR-N07995-04Size: 100 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-N07995-04Size:100 Units

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CAS Number

119-04-0

Molecular Formula

C23H46N6O13

API Name

Neomycin

Chemical Information

Neomycin

Framycetin is a tetracyclic antibacterial agent derived from neomycin, being a glycoside ester of neamine and neobiosamine B. It has a role as an antibacterial drug, an allergen and an Escherichia coli metabolite. It is a conjugate base of a framycetin(6+).

CAS Number	119-04-0
PubChem CID	8378
IUPAC Name	(2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol
Molecular Formula	C23H46N6O13
Molecular Weight	614.6
XLogP	-9
Topological Polar Surface Area	353
Hydrogen Bond Donor Count	13
Hydrogen Bond Acceptor Count	19
Rotatable Bond Count	9
Heavy Atom Count	42
Formal Charge	0
Complexity	872

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[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@@H](O4)CN)O)O)N)O)O)N

InChI

InChI=1S/C23H46N6O13/c24-2-7-13(32)15(34)10(28)21(37-7)40-18-6(27)1-5(26)12(31)20(18)42-23-17(36)19(9(4-30)39-23)41-22-11(29)16(35)14(33)8(3-25)38-22/h5-23,30-36H,1-4,24-29H2/t5-,6+,7-,8+,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+/m1/s1

InChIKey

PGBHMTALBVVCIT-VCIWKGPPSA-N

Chemical Structure

2D Structure

CAS: 119-04-0

CID: 8378

Formula: C23H46N6O13

MW: 614.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	614.6
XLogP3	-9
Hydrogen Bond Donor Count	13
Hydrogen Bond Acceptor Count	19
Rotatable Bond Count	9
Exact Mass	614.31228554
Monoisotopic Mass	614.31228554
Topological Polar Surface Area	353 Å²
Heavy Atom Count	42
Formal Charge	0
Complexity	872
Isotope Atom Count	0
Defined Atom Stereocenter Count	19
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Neomycin B

Chemical Information

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