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Polyoxin D

CAT: 0931-T39822Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T39822Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
22976-86-9
Target
Others, Antifungal, Antibiotic
Related Pathways
Microbiology/Virology, Others
Bioactivity
Polyoxin D (Polyoxorim), a polyoxin antibiotic fungicide, effectively inhibits chitin synthetase.
Smiles
[H][C@@]1(O[C@H]([C@H](O)[C@@H]1O)n1cc(C(O)=O)c(=O)[nH]c1=O)[C@H](NC(=O)[C@@H](N)[C@H](O)[C@@H](O)COC(N)=O)C(O)=O
Molecular Formula
C17H23N5O14
Molecular Weight
521.39
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Polyoxorim

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.

CAS Number22976-86-9
PubChem CID72476
IUPAC Name1-[(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
Molecular FormulaC17H23N5O14
Molecular Weight521.4
XLogP-7.5
Topological Polar Surface Area322
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count15
Rotatable Bond Count11
Heavy Atom Count36
Formal Charge0
Complexity971
SMILES
C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)[C@@H](C(=O)O)NC(=O)[C@H]([C@@H]([C@H](COC(=O)N)O)O)N)O)O)C(=O)O
InChI
InChI=1S/C17H23N5O14/c18-5(7(24)4(23)2-35-16(19)33)12(28)20-6(15(31)32)10-8(25)9(26)13(36-10)22-1-3(14(29)30)11(27)21-17(22)34/h1,4-10,13,23-26H,2,18H2,(H2,19,33)(H,20,28)(H,29,30)(H,31,32)(H,21,27,34)/t4-,5-,6-,7+,8-,9+,10+,13+/m0/s1
InChIKey
JPFWJDMDPLEUBD-ITJAGOAWSA-N
Chemical Structure
2D Structure
2D structure of Polyoxorim
CAS: 22976-86-9
CID: 72476
Formula: C17H23N5O14
MW: 521.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight521.4
XLogP3-7.5
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count15
Rotatable Bond Count11
Exact Mass521.12415042
Monoisotopic Mass521.12415042
Topological Polar Surface Area322 Ų
Heavy Atom Count36
Formal Charge0
Complexity971
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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