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Polyoxin E

CAT: 0013-GTR19255396-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19255396-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Polyoxin E is a nucleoside antifungal antibiotic that demonstrates significant effectiveness against rice sheath blight.
CAS Number
22976-87-0
Field of Research
Infectious Disease & Virology
Smiles
O=C (O) C1=CN (C (=O) NC1=O) C2OC (C (O) C2O) C (NC (=O) C (N) CC (O) COC (=O) N) C (=O) O
Molecular Formula
C17H23N5O13
Molecular Weight
505.39
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Polyoxin E

Polyoxin E is a dipeptide.

CAS Number22976-87-0
PubChem CID3084385
IUPAC Name1-[(2R,3R,4S,5R)-5-[[(2-amino-5-carbamoyloxy-4-hydroxypentanoyl)amino]-carboxymethyl]-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidine-5-carboxylic acid
Molecular FormulaC17H23N5O13
Molecular Weight505.4
XLogP-6.5
Topological Polar Surface Area301
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count14
Rotatable Bond Count11
Heavy Atom Count35
Formal Charge0
Complexity939
SMILES
C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)C(C(=O)O)NC(=O)C(CC(COC(=O)N)O)N)O)O)C(=O)O
InChI
InChI=1S/C17H23N5O13/c18-6(1-4(23)3-34-16(19)32)12(27)20-7(15(30)31)10-8(24)9(25)13(35-10)22-2-5(14(28)29)11(26)21-17(22)33/h2,4,6-10,13,23-25H,1,3,18H2,(H2,19,32)(H,20,27)(H,28,29)(H,30,31)(H,21,26,33)/t4?,6?,7?,8-,9+,10+,13+/m0/s1
InChIKey
PSMMGZFBBZWLFJ-HQLOUJRVSA-N
Chemical Structure
2D Structure
2D structure of Polyoxin E
CAS: 22976-87-0
CID: 3084385
Formula: C17H23N5O13
MW: 505.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight505.4
XLogP3-6.5
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count14
Rotatable Bond Count11
Exact Mass505.12923581
Monoisotopic Mass505.12923581
Topological Polar Surface Area301 Ų
Heavy Atom Count35
Formal Charge0
Complexity939
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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