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Ashimycin B

CAT: 0013-GTR19249212-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19249212-02Size:50 mg
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Description
Ashimycin B is a streptomycin-derived small molecule antibiotic with broad-spectrum activity. It is a valuable research tool for studying antibacterial mechanisms and efficacy in both in vitro assays and in vivo infection models.
CAS Number
123482-12-2
Field of Research
Infectious Disease & Virology
Smiles
O=CC1 (O) C (OC (OC2C (O) C (O) C (NC (=N) N) C (O) C2NC (=N) N) C1OC3OC (CO) C (O) C (O) C3N (C (=O) CO) C) C
Molecular Formula
C23H41N7O14
Molecular Weight
639.61
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Ashimycin B

Ashimycin B is a N-acyl-hexosamine.

CAS Number123482-12-2
PubChem CID139588942
IUPAC NameN-[(2S,3S,4S,5R,6S)-2-[(2R,3S,4S,5R)-2-[(1S,2R,3S,4S,5S,6R)-2,4-bis(diaminomethylideneamino)-3,5,6-trihydroxycyclohexyl]oxy-4-formyl-4-hydroxy-5-methyloxolan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-2-hydroxy-N-methylacetamide
Molecular FormulaC23H41N7O14
Molecular Weight639.6
XLogP-8.7
Topological Polar Surface Area365
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count16
Rotatable Bond Count10
Heavy Atom Count44
Formal Charge0
Complexity1080
SMILES
C[C@@H]1[C@]([C@@H]([C@@H](O1)O[C@H]2[C@@H]([C@H]([C@@H]([C@@H]([C@H]2O)O)N=C(N)N)O)N=C(N)N)O[C@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O)O)N(C)C(=O)CO)(C=O)O
InChI
InChI=1S/C23H41N7O14/c1-6-23(40,5-33)18(44-19-11(30(2)8(34)4-32)15(38)12(35)7(3-31)42-19)20(41-6)43-17-10(29-22(26)27)13(36)9(28-21(24)25)14(37)16(17)39/h5-7,9-20,31-32,35-40H,3-4H2,1-2H3,(H4,24,25,28)(H4,26,27,29)/t6-,7+,9+,10-,11+,12+,13+,14+,15+,16-,17+,18-,19+,20+,23+/m1/s1
InChIKey
QGZXKOYUROSPLZ-OXUUYJNGSA-N
Chemical Structure
2D Structure
2D structure of Ashimycin B
CAS: 123482-12-2
CID: 139588942
Formula: C23H41N7O14
MW: 639.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight639.6
XLogP3-8.7
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count16
Rotatable Bond Count10
Exact Mass639.27114901
Monoisotopic Mass639.27114901
Topological Polar Surface Area365 Ų
Heavy Atom Count44
Formal Charge0
Complexity1080
Isotope Atom Count0
Defined Atom Stereocenter Count15
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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