A 33853
Basic information
- CAS
80148-45-4- Standard SMILES
O=C(Nc1c(O)cccc1-c1nc2c(C(=O)O)cccc2o1)c1ncccc1O- InChIKey
LJVDLJDWXVPUAB-UHFFFAOYSA-N- Molecular formula
- C20H13N3O6
- Average molar mass
- 391.3 g/mol
- Monoisotopic mass
- 391.08043514
Overview
isolated from culture broth of Streptomyces sp., NRRL 12068; structure in first source
Names & identifiers
- Preferred name
- A 33853
- IUPAC
- 2-[3-hydroxy-2-[(3-hydroxypyridine-2-carbonyl)amino]phenyl]-1,3-benzoxazole-4-carboxylic acid
- English name
- A 33853
- Molecular formula
- C20H13N3O6
- Molecular weight
- 391.33
Names & synonyms
80148-45-4A 33853A-33853a33853DTXSID502300924-Benzoxazolecarboxylic acid, 2-(3-hydroxy-2-(((3-hydroxy-2-pyridinyl)carbonyl)amino)phenyl)-, (1'alpha)-RefChem:914813DTXCID50152583Antibiotic A 338532-(3-Hydroxy-2-(3-hydroxypicolinamido)phenyl)benzo[d]oxazole-4-carboxylic acidAntibiotic A-338534-Benzoxazolecarboxylic acid, 2-(3-hydroxy-2-(((3-hydroxy-2-pyridinyl)carbonyl)amino)phenyl)-
Show more names
2-(3-Hydroxy-2-(3-hydroxypicolinamido)phenyl)-benzo[d]oxazole-4-carboxylic acid2-[3-HYDROXY-2-[[(3-HYDROXY-2-PYRIDINYL)CARBONYL]AMINO]PHENYL]-4-BENZOXAZOLECARBOXYLIC ACID2-[3-hydroxy-2-[(3-hydroxypyridine-2-carbonyl)-amino]-phenyl]-benzoxazole-4-carboxylic acid4-Benzoxazolecarboxylic acid, 2-[3-hydroxy-2-[[(3-hydroxy-2-pyridinyl)carbonyl]amino]phenyl]-
2-[3-hydroxy-2-[(3-hydroxypyridine-2-carbonyl)amino]phenyl]-1,3-benzoxazole-4-carboxylic acidCHEMBL463985orb1701388SCHEMBL11058005SCHEMBL29884522FDA14845AKOS016011282DA-49223
Database identifiers
- CAS
80148-45-4- PubChem CID
- 133379
- DTXSID
DTXSID50230092- ChEMBL
CHEMBL463985
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 146 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 619
Physicochemical properties
- Boiling point
- 644.9 · 644.9±55.0 °C(Predicted)
- Density
- 1.588 · 1.588±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- -2.81 · -2.81±0.30(Predicted)
Chemistry & industry
Applications
UsesAntibiotic A-338533, an antibiotic, can be isolated from Streptomyces strain. Antibiotic A-338533 has anti-bacterial activity against Staphylococcus aureus, Mycoplasma gallisepticum with MIC values of 2 μg/mL and ≤1.56 μg/mL, respectively[1].
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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