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Seldomycin factor 1

CAT: 0804-HY-N13959Size: 1 EachDry Ice: NoHazardous: No
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Description
Seldomycin factor 1 (XK 88-1) is an aminoglycoside antibiotic. Seldomycin factor 1 has a broad spectrum of antimicrobial activity[1].
CAS Number
56276-04-1
Product Name Alternative
XK 88-1
UNSPSC
12352005
Target
Antibiotic; Bacterial
Related Pathways
Anti-infection
Field of Research
Infection
Smiles
OC[C@H]1O[C@@H]([C@@H]([C@H]([C@@H]1O)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)O)O)N)O
Molecular Formula
C17H34N4O10
Molecular Weight
454.47
References & Citations
[1]R S Egan, et al. A new aminoglycoside antibiotic complex--the seldomycins. III. The structures of seldomycin factors 1 and 2+. J Antibiot (Tokyo) . 1977 Jan;30 (1) :31-8.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

4,6-Diamino-3-((2-amino-2-deoxypentopyranosyl)oxy)-2-hydroxycyclohexyl 2-amino-2-deoxyhexopyranoside
CAS Number56276-04-1
PubChem CID3043876
IUPAC Name5-amino-6-[4,6-diamino-3-(3-amino-4,5-dihydroxyoxan-2-yl)oxy-2-hydroxycyclohexyl]oxy-2-(hydroxymethyl)oxane-3,4-diol
Molecular FormulaC17H34N4O10
Molecular Weight454.5
XLogP-6.9
Topological Polar Surface Area262
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count14
Rotatable Bond Count5
Heavy Atom Count31
Formal Charge0
Complexity593
SMILES
C1C(C(C(C(C1N)OC2C(C(C(C(O2)CO)O)O)N)O)OC3C(C(C(CO3)O)O)N)N
InChI
InChI=1S/C17H34N4O10/c18-4-1-5(19)15(31-17-9(21)12(26)11(25)7(2-22)29-17)13(27)14(4)30-16-8(20)10(24)6(23)3-28-16/h4-17,22-27H,1-3,18-21H2
InChIKey
YNMRKGLUALDHIR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4,6-Diamino-3-((2-amino-2-deoxypentopyranosyl)oxy)-2-hydroxycyclohexyl 2-amino-2-deoxyhexopyranoside
CAS: 56276-04-1
CID: 3043876
Formula: C17H34N4O10
MW: 454.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight454.5
XLogP3-6.9
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count14
Rotatable Bond Count5
Exact Mass454.22749329
Monoisotopic Mass454.22749329
Topological Polar Surface Area262 Ų
Heavy Atom Count31
Formal Charge0
Complexity593
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count14
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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