Polyoxin A
Basic information
- CAS
19396-03-3- Standard SMILES
C/C=C1/CN(C(=O)[C@@H](NC(=O)[C@@H](N)[C@H](O)[C@@H](O)COC(N)=O)[C@H]2O[C@@H](n3cc(CO)c(=O)[nH]c3=O)[C@H](O)[C@@H]2O)[C@@H]1C(=O)O- InChIKey
PQAGMWMKVWTHJU-ATETYRDMSA-N- Molecular formula
- C23H32N6O14
- Average molar mass
- 616.5 g/mol
- Monoisotopic mass
- 616.19764972
Names & identifiers
- Preferred name
- Polyoxin A
- IUPAC
- (2S,3Z)-1-[(2S)-2-[[(2S,3S,4S)-2-amino-5-carbamoyloxy-3,4-dihydroxypentanoyl]amino]-2-[(2R,3S,4R,5R)-3,4-dihydroxy-5-[5-(hydroxymethyl)-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]acetyl]-3-ethylideneazetidine-2-carboxylic acid
- English name
- POLYOXIN A
- Molecular formula
- C23H32N6O14
- Molecular weight
- 616.53
Names & synonyms
19396-03-3FGY211ZGNZDTXSID601318321(2S,3Z)-1-[(2S)-2-[[(2S,3S,4S)-2-amino-5-carbamoyloxy-3,4-dihydroxypentanoyl]amino]-2-[(2R,3S,4R,5R)-3,4-dihydroxy-5-[5-(hydroxymethyl)-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]acetyl]-3-ethylideneazetidine-2-carboxylic acid(2S,3Z)-1-((2S)-2-(((2S,3S,4S)-2-amino-5-carbamoyloxy-3,4-dihydroxypentanoyl)amino)-2-((2R,3S,4R,5R)-3,4-dihydroxy-5-(5-(hydroxymethyl)-2,4-dioxopyrimidin-1-yl)oxolan-2-yl)acetyl)-3-ethylideneazetidine-2-carboxylic acidRefChem:175189DTXCID301748133(S-(E))-1-(5-((2-amino-5-O-(aminocarbonyl)-2-deoxy-L-xylonoyl)amino)-1,5-dideoxy-1-(3,4-dihydro-5-(hydroxymethyl)-2,4-dioxo-1(2H)-pyrimi dinyl)-beta-D-allofuranuronoyl)-3-ethylidene-2-azetidinecarboxylic acidUNII-FGY211ZGNZSCHEMBL691549orb3024675TN10246
Show more names
POLYOXIN APOLYOXIN A USP/EP/BPmonocarbamate(ester),(e)-l-noyl)-3-ethylidene2-azetidinecarboxylicacid,1-(5-(2-amino-2-deoxy-l-xylonamido)-1,5-dideoxy-1-(
Properties
Computed structural properties
- XLogP
- -8.3
- Topological polar surface area
- 325 Ų
- Hydrogen bond donors
- 10
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 12
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 1,220
Physicochemical properties
- alpha
- 20 · D20 -30°
- Density
- 1.748 · 1.748±0.06 g/cm3(Predicted)
- pka
- 3.07 · 3.07±0.20(Predicted)
- FDA UNII
- 211 ZGNZ · FGY211ZGNZ
- Toxicity
- 50 · Acute oral LD50>20000mg/kg in rats and mice, acute transdermal LD50>12000mg/kg in rats, acute inhalation LD50 in rats >10mg/L. No irritation to rabbit eyes and skin. No carcinogenic, teratogenic or mutagenic effects were found in animal experiments. Carp LC50>40mg/L (48h), Daphnia LC50>40mg/L (3h). Low toxicity to bees, LD50>1000mg/bee.
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- Acute oral LD50>20000mg/kg in rats and mice, acute transdermal LD50>12000mg/kg in rats, acute inhalation LD50 in rats >10mg/L. No irritation to rabbit eyes and skin. No carcinogenic, teratogenic or mutagenic effects were found in animal experiments. Carp LC50>40mg/L (48h), Daphnia LC50>40mg/L (3h). Low toxicity to bees, LD50>1000mg/bee.
Chemistry & industry
Applications
UsesPOLYOXIN A is a broad-spectrum antibiotic fungicide with systemic conduction. It is mainly used to control wheat powdery mildew, ginseng black spot, tobacco red spot, cucumber downy mildew, melon wilt, rice sheath blight, apple spotted leaf spot, strawberry and grape gray mold, forest sheath wilt, etc.
Upstream & downstream products
Upstream raw materials
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