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Seldomycin factor 5

CAT: 0804-HY-N13986Size: 1 EachDry Ice: NoHazardous: No
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Description
Seldomycin factor 5 (XK 88-5) is an aminoglycoside antibiotic. Seldomycin factor 5 has a broad spectrum of antimicrobial activity[1].
CAS Number
56276-26-7
Product Name Alternative
XX-88-5
UNSPSC
12352005
Target
Antibiotic; Bacterial
Related Pathways
Anti-infection
Field of Research
Infection
Smiles
NC[C@H]1O[C@@H]([C@@H]([C@H](C1)O)N)O[C@H]2[C@@H]([C@H]([C@@H](C[C@@H]2N)N)O[C@@H]3[C@@H]([C@H]([C@@H](CO3)OC)N)N)O
Molecular Formula
C18H38N6O7
Molecular Weight
450.53
References & Citations
[1]R E Carney, et al. Modification of seldomycin factor 5 at C-3'. J Antibiot (Tokyo) . 1978 May;31 (5) :441-50.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

4,6-Diamino-3-((2,3-diamino-2,3-dideoxy-4-O-methylpentopyranosyl)oxy)-2-hydroxycyclohexyl 2,6-diamino-2,4,6-trideoxyhexopyranoside
CAS Number56276-26-7
PubChem CID3043877
IUPAC Name3-amino-6-(aminomethyl)-2-[4,6-diamino-3-(3,4-diamino-5-methoxyoxan-2-yl)oxy-2-hydroxycyclohexyl]oxyoxan-4-ol
Molecular FormulaC18H38N6O7
Molecular Weight450.5
XLogP-6.4
Topological Polar Surface Area243
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count13
Rotatable Bond Count6
Heavy Atom Count31
Formal Charge0
Complexity580
SMILES
COC1COC(C(C1N)N)OC2C(CC(C(C2O)OC3C(C(CC(O3)CN)O)N)N)N
InChI
InChI=1S/C18H38N6O7/c1-27-10-5-28-17(13(24)12(10)23)30-15-7(20)3-8(21)16(14(15)26)31-18-11(22)9(25)2-6(4-19)29-18/h6-18,25-26H,2-5,19-24H2,1H3
InChIKey
HJKXMQLJTKUBMG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4,6-Diamino-3-((2,3-diamino-2,3-dideoxy-4-O-methylpentopyranosyl)oxy)-2-hydroxycyclohexyl 2,6-diamino-2,4,6-trideoxyhexopyranoside
CAS: 56276-26-7
CID: 3043877
Formula: C18H38N6O7
MW: 450.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight450.5
XLogP3-6.4
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count13
Rotatable Bond Count6
Exact Mass450.28019757
Monoisotopic Mass450.28019757
Topological Polar Surface Area243 Ų
Heavy Atom Count31
Formal Charge0
Complexity580
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count13
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes