Polyoxorim
Basic information
- CAS
22976-86-9- Standard SMILES
NC(=O)OC[C@H](O)[C@@H](O)[C@H](N)C(=O)N[C@H](C(=O)O)[C@H]1O[C@@H](n2cc(C(=O)O)c(=O)[nH]c2=O)[C@H](O)[C@@H]1O- InChIKey
JPFWJDMDPLEUBD-ITJAGOAWSA-N- Molecular formula
- C17H23N5O14
- Average molar mass
- 521.4 g/mol
- Monoisotopic mass
- 521.12415042
Overview
Polyoxorim is a member of the class of polyoxins that is isolated from the soil organism Streptomyces cacaoi var. asoensis. Polyoxorim exhibits fungicidal properties and may be used on rice, industrial grounds, golf courses and parks. It has a role as an EC 2.4.1.16 (chitin synthase) inhibitor and an antifungal agrochemical. It is a polyoxin and an antibiotic fungicide.
Names & identifiers
- Preferred name
- Polyoxorim
- IUPAC
- 1-[(2R,3R,4S,5R)-5-[(S)-[[(2S,3S,4S)-2-amino-5-carbamoyloxy-3,4-dihydroxypentanoyl]amino]-carboxymethyl]-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidine-5-carboxylic acid
- English name
- POLYOXIN D
- Molecular formula
- C17H23N5O14
- Molecular weight
- 521.39
Names & synonyms
22976-86-9A2468O1N7DCHEBI:78777DTXSID308738651-[(2R,3R,4S,5R)-5-[(S)-[[(2S,3S,4S)-2-amino-5-carbamoyloxy-3,4-dihydroxypentanoyl]amino]-carboxymethyl]-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidine-5-carboxylic acidbeta-D-Allofuranuronic acid, 5-((2-amino-5-O-(aminocarbonyl)-2-deoxy-L-xylonoyl)amino)-1-(5-carboxy-3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-1,5-dideoxy-1-((2R,3R,4S,5R)-5-((S)-(((2S,3S,4S)-2-amino-5-carbamoyloxy-3,4-dihydroxypentanoyl)amino)-carboxymethyl)-3,4-dihydroxyoxolan-2-yl)-2,4-dioxopyrimidine-5-carboxylic acidbeta-D-Allofuranuronic acid, 5-[[2-amino-5-O-(aminocarbonyl)-2-deoxy-L-xylonoyl]amino]-1-(5-carboxy-3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-1,5-dideoxy-RefChem:175191DTXCID701012067Polyoxin D, Streptomyces cacaoi var. asoensisCURRENTLY UNAVAILABLE.beta.-D-Allofuranuronic acid, 5-[[2-amino-5-O-(aminocarbonyl)-2-deoxy-L-xylonoyl]amino]-1-(5-carboxy-3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-1,5-dideoxy-
Show more names
polyoxinzpolyoxorim
Properties
Computed structural properties
- XLogP
- -7.5
- Topological polar surface area
- 322 Ų
- Hydrogen bond donors
- 10
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 11
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 971
Physicochemical properties
- Melting point
- 173 · 173-175 °C (decomp)
- Density
- 1.864 · 1.864±0.06 g/cm3(Predicted)
- storage temp.
- 10 · 10-30°C
- solubility
- aqueous buffer: soluble || water: soluble
- pka
- 2.67 · 2.67±0.10(Predicted)
- form
- solid
- color
- white
- Water Solubility
- aqueous buffer: solublewater: soluble
- InChIKey
- ZKAPMXOKBGSLTC-AGVSZMOESA-N
- FDA UNII
- 2468 O1N7D · A2468O1N7D
- UNSPSC Code
- 12352200 · 12352200
- WGK Germany
- 1 · WGK 1
- Storage Class
- 11 · 11 - Combustible Solids
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
- wgk
- WGK 1
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Substances that destroy fungi by suppressing their ability to grow or reproduce. They differ from FUNGICIDES, INDUSTRIAL because they defend against fungi present in human or animal tissues.
Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.
Substances that inhibit the growth or reproduction of BACTERIA.
Applications
UsesPolyoxin D,Streptomyces cacaoi var. asoensis is a specific inhibitor of fungal chitin synthetase.
Additional notes
DefinitionChEBI: A member of the class of polyoxins that is isolated from the soil organism Streptomyces cacaoi var. asoensis. Polyoxorim exhibits fungicidal properties and may be used on rice, industrial grounds, golf courses and parks.
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…