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Adenomycin

CAT: 0013-GTR19248536-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19248536-02Size:10 mg
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Description
Adenomycin is a small-molecule antibiotic with demonstrated activity against a range of mycobacterial species. It is utilized in research for studying tuberculosis pathogenesis and evaluating antimicrobial efficacy in both in vitro culture models and in vivo animal studies.
CAS Number
76174-56-6
Field of Research
Infectious Disease & Virology
Smiles
O[C@H]1[C@H] (N2C=3C (N=C2) =C (N) N=CN3) O[C@H] (CO[C@@H]4[C@@H] (OC ([C@H] (CO) N) =O) [C@H] (OS (=O) (=O) O) [C@H] (O) [C@@H] (O[C@H]5O[C@@H] (CO) [C@@H] (O) [C@H] (O) [C@@H]5N) [C@H]4O) [C@H]1O
Molecular Formula
C25H39N7O18S
Molecular Weight
757.678
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Adenomycin

adenosine nucleoside antibiotic produced by Streptomyces griseoflavus consisting of D-ribose, chiro-inositol, L-gulosamine, L-serine & sulfate

CAS Number76174-56-6
PubChem CID195904
IUPAC Name[(1R,2S,3S,4S,5R,6R)-4-[(2R,3S,4R,5S,6S)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]-3,5-dihydroxy-6-sulfooxycyclohexyl] (2S)-2-amino-3-hydroxypropanoate
Molecular FormulaC25H39N7O18S
Molecular Weight757.7
XLogP-9.8
Topological Polar Surface Area419
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count24
Rotatable Bond Count13
Heavy Atom Count51
Formal Charge0
Complexity1290
SMILES
C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[C@H]4[C@@H]([C@@H]([C@H]([C@H]([C@@H]4OC(=O)[C@H](CO)N)OS(=O)(=O)O)O)O[C@@H]5[C@H]([C@H]([C@@H]([C@@H](O5)CO)O)O)N)O)O)O)N
InChI
InChI=1S/C25H39N7O18S/c26-6(1-33)24(41)48-20-18(45-3-8-12(36)14(38)23(46-8)32-5-31-10-21(28)29-4-30-22(10)32)15(39)17(16(40)19(20)50-51(42,43)44)49-25-9(27)13(37)11(35)7(2-34)47-25/h4-9,11-20,23,25,33-40H,1-3,26-27H2,(H2,28,29,30)(H,42,43,44)/t6-,7-,8+,9-,11+,12+,13+,14+,15+,16+,17-,18-,19+,20+,23+,25+/m0/s1
InChIKey
UXRHCHSWRDOIED-QVEOBRIHSA-N
Chemical Structure
2D Structure
2D structure of Adenomycin
CAS: 76174-56-6
CID: 195904
Formula: C25H39N7O18S
MW: 757.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight757.7
XLogP3-9.8
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count24
Rotatable Bond Count13
Exact Mass757.20722859
Monoisotopic Mass757.20722859
Topological Polar Surface Area419 Ų
Heavy Atom Count51
Formal Charge0
Complexity1290
Isotope Atom Count0
Defined Atom Stereocenter Count16
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-N14913Adenomycin

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