Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB04808"
Predicate | Value (sorted: default) |
---|---|
rdfs:label |
"Neamine"
|
rdf:type | |
drugbank:description |
"
3947-65-7
experimental
Eiichi Akita, Tsutomu Tsuchiya, Shinichi Kondo, Shuntaro Yasuda, Sumio Umezawa, Hamao Umezawa, "1-N-((S)-.alpha.-substituted-.omega.-aminoacyl)-neamine or -ribostamycin and the production thereof." U.S. Patent US4008218, issued February, 1974.
This compound belongs to the aminocyclitol glycosides. These are organic compounds containing an amicocyclitol moiety glycosidially linked to a carbohydrate moiety.
Aminocyclitol Glycosides
Organic Compounds
Organooxygen Compounds
Carbohydrates and Carbohydrate Conjugates
Amino Sugars
O-glycosyl Compounds
Hexoses
Aminocyclitols and Derivatives
Cyclohexanols
Oxanes
1,2-Aminoalcohols
1,2-Diols
Polyamines
Acetals
Monoalkylamines
o-glycosyl compound
glycosyl compound
hexose monosaccharide
aminocyclitol derivative
cyclitol derivative
cyclohexanol
monosaccharide
oxane
cyclic alcohol
1,2-diol
1,2-aminoalcohol
secondary alcohol
polyamine
acetal
ether
alcohol
amine
organonitrogen compound
primary aliphatic amine
primary amine
Dekamycin V
Nebramycin X
Negamicin
Neomycin A
Anti-Bacterial Agents
logP
-2.9
ALOGPS
logS
-0.5
ALOGPS
Water Solubility
1.01e+02 g/l
ALOGPS
logP
-5.3
ChemAxon
IUPAC Name
(2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-{[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy}oxane-3,4-diol
ChemAxon
Traditional IUPAC Name
neamine
ChemAxon
Molecular Weight
322.358
ChemAxon
Monoisotopic Weight
322.185234584
ChemAxon
SMILES
NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O)[C@H]2O)[C@H](N)[C@@H](O)[C@@H]1O
ChemAxon
Molecular Formula
C12H26N4O6
ChemAxon
InChI
InChI=1S/C12H26N4O6/c13-2-5-8(18)9(19)6(16)12(21-5)22-11-4(15)1-3(14)7(17)10(11)20/h3-12,17-20H,1-2,13-16H2/t3-,4+,5-,6-,7+,8-,9-,10-,11-,12-/m1/s1
ChemAxon
InChIKey
InChIKey=SYJXFKPQNSDJLI-HKEUSBCWSA-N
ChemAxon
Polar Surface Area (PSA)
203.46
ChemAxon
Refractivity
73.72
ChemAxon
Polarizability
32.19
ChemAxon
Rotatable Bond Count
3
ChemAxon
H Bond Acceptor Count
10
ChemAxon
H Bond Donor Count
8
ChemAxon
pKa (strongest acidic)
12.66
ChemAxon
pKa (strongest basic)
9.67
ChemAxon
Physiological Charge
4
ChemAxon
Number of Rings
2
ChemAxon
Bioavailability
0
ChemAxon
PubChem Compound
72392
PubChem Substance
46507306
KEGG Compound
C01441
BindingDB
8580
PDB
XXX
"
|
drugbank:drugCategory |
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
The resource does not appear as an object