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1404-04-2

1404-04-2 | Neomycin

CAS No: 1404-04-2 Catalog No: AG001CCI MDL No:

Product Description

Catalog Number:
AG001CCI
Chemical Name:
Neomycin
CAS Number:
1404-04-2
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
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
InChI Key:
PGBHMTALBVVCIT-VCIWKGPPSA-N
UNII:
4BOC774388

Properties

Complexity:
872  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
19  
Defined Bond Stereocenter Count:
0
Exact Mass:
614.312g/mol
Formal Charge:
0
Heavy Atom Count:
42  
Hydrogen Bond Acceptor Count:
19  
Hydrogen Bond Donor Count:
13  
Isotope Atom Count:
0
Molecular Weight:
614.65g/mol
Monoisotopic Mass:
614.312g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
353A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-9  

Literature

Title Journal
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