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A 33853

CAT: 0931-T26416-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T26416-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
80148-45-4
Target
Others, Antibacterial, Antibiotic
Related Pathways
Microbiology/Virology, Others
Bioactivity
A 33853 is an antibiotic isolated from culture broth of Streptomyces sp.
Smiles
O=C(O)C1=CC=CC=2OC(=NC21)C=3C=CC=C(O)C3NC(=O)C4=NC=CC=C4O
Molecular Formula
C20H13N3O6
Molecular Weight
391.33
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

A 33853

isolated from culture broth of Streptomyces sp., NRRL 12068; structure in first source

CAS Number80148-45-4
PubChem CID133379
IUPAC Name2-[3-hydroxy-2-[(3-hydroxypyridine-2-carbonyl)amino]phenyl]-1,3-benzoxazole-4-carboxylic acid
Molecular FormulaC20H13N3O6
Molecular Weight391.3
XLogP2.9
Topological Polar Surface Area146
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count29
Formal Charge0
Complexity619
SMILES
C1=CC(=C(C(=C1)O)NC(=O)C2=C(C=CC=N2)O)C3=NC4=C(C=CC=C4O3)C(=O)O
InChI
InChI=1S/C20H13N3O6/c24-12-6-1-4-10(15(12)22-18(26)17-13(25)7-3-9-21-17)19-23-16-11(20(27)28)5-2-8-14(16)29-19/h1-9,24-25H,(H,22,26)(H,27,28)
InChIKey
LJVDLJDWXVPUAB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of A 33853
CAS: 80148-45-4
CID: 133379
Formula: C20H13N3O6
MW: 391.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight391.3
XLogP32.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass391.08043514
Monoisotopic Mass391.08043514
Topological Polar Surface Area146 Ų
Heavy Atom Count29
Formal Charge0
Complexity619
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
TPL0605-01Compound EN300-338553

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CatalogName
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HY-14366Antibiotic A-33853

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