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Polyoxin J

CAT: 0013-GTR19255521-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19255521-01Size:50 mg
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Description
Polyoxin J is a nucleoside antifungal antibiotic, notably effective against sheath blight in rice.
CAS Number
22976-89-2
Field of Research
Infectious Disease & Virology
Smiles
O[C@H]1[C@@H] (O[C@] ([C@H] (NC ([C@H] ([C@@H] ([C@H] (COC (N) =O) O) O) N) =O) C (O) =O) ([C@H]1O) [H]) N2C (=O) NC (=O) C (C) =C2
Molecular Formula
C17H25N5O12
Molecular Weight
491.41
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

beta-D-Allofuranuronic acid, 5-((2-amino-5-O-(aminocarbonyl)-2-deoxy-L-xylonoyl)amino)-1,5-dideoxy-1-(3,4-dihydro-5-methyl-2,4-dioxo-1(2H)-pyrimidinyl)-
CAS Number22976-89-2
PubChem CID3084386
IUPAC Name2-[(2-amino-5-carbamoyloxy-3,4-dihydroxypentanoyl)amino]-2-[(2R,3S,4R,5R)-3,4-dihydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]acetic acid
Molecular FormulaC17H25N5O12
Molecular Weight491.4
XLogP-7.4
Topological Polar Surface Area284
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count13
Rotatable Bond Count10
Heavy Atom Count34
Formal Charge0
Complexity881
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)C(C(=O)O)NC(=O)C(C(C(COC(=O)N)O)O)N)O)O
InChI
InChI=1S/C17H25N5O12/c1-4-2-22(17(32)21-12(4)27)14-10(26)9(25)11(34-14)7(15(29)30)20-13(28)6(18)8(24)5(23)3-33-16(19)31/h2,5-11,14,23-26H,3,18H2,1H3,(H2,19,31)(H,20,28)(H,29,30)(H,21,27,32)/t5?,6?,7?,8?,9-,10+,11+,14+/m0/s1
InChIKey
MUIVXLDDXLZVGN-KHZLDBTCSA-N
Chemical Structure
2D Structure
2D structure of beta-D-Allofuranuronic acid, 5-((2-amino-5-O-(aminocarbonyl)-2-deoxy-L-xylonoyl)amino)-1,5-dideoxy-1-(3,4-dihydro-5-methyl-2,4-dioxo-1(2H)-pyrimidinyl)-
CAS: 22976-89-2
CID: 3084386
Formula: C17H25N5O12
MW: 491.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight491.4
XLogP3-7.4
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count13
Rotatable Bond Count10
Exact Mass491.14997125
Monoisotopic Mass491.14997125
Topological Polar Surface Area284 Ų
Heavy Atom Count34
Formal Charge0
Complexity881
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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