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Polyoxin H

CAT: 0931-TN11033-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TN11033-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
24695-54-3
Target
Antibiotic, Antifungal
Related Pathways
Microbiology/Virology
Bioactivity
Polyoxin H is a nucleoside antifungal antibiotic that exhibits significant efficacy against rice sheath blight.
Smiles
O=C(OCC(O)C(O)C(N)C(=O)NC(C(=O)N1CC(=CC)C1C(=O)O)C2OC(N3C=C(C(=O)NC3=O)C)C(O)C2O)N
Molecular Formula
C23H32N6O13
Molecular Weight
600.53
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(S-(E))-1-(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)-beta-D-allofuranuronoyl)-3-ethylidene-2-azetidinecarboxylic acid
CAS Number24695-54-3
PubChem CID6441447
IUPAC Name(3Z)-1-[2-[(2-amino-5-carbamoyloxy-3,4-dihydroxypentanoyl)amino]-2-[3,4-dihydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]acetyl]-3-ethylideneazetidine-2-carboxylic acid
Molecular FormulaC23H32N6O13
Molecular Weight600.5
XLogP-7.6
Topological Polar Surface Area305
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count14
Rotatable Bond Count11
Heavy Atom Count42
Formal Charge0
Complexity1210
SMILES
C/C=C\1/CN(C1C(=O)O)C(=O)C(C2C(C(C(O2)N3C=C(C(=O)NC3=O)C)O)O)NC(=O)C(C(C(COC(=O)N)O)O)N
InChI
InChI=1S/C23H32N6O13/c1-3-8-5-28(12(8)21(37)38)19(36)11(26-18(35)10(24)13(31)9(30)6-41-22(25)39)16-14(32)15(33)20(42-16)29-4-7(2)17(34)27-23(29)40/h3-4,9-16,20,30-33H,5-6,24H2,1-2H3,(H2,25,39)(H,26,35)(H,37,38)(H,27,34,40)/b8-3-
InChIKey
QRXHXAYQBZIPSH-BAQGIRSFSA-N
Chemical Structure
2D Structure
2D structure of (S-(E))-1-(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)-beta-D-allofuranuronoyl)-3-ethylidene-2-azetidinecarboxylic acid
CAS: 24695-54-3
CID: 6441447
Formula: C23H32N6O13
MW: 600.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight600.5
XLogP3-7.6
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count14
Rotatable Bond Count11
Exact Mass600.20273510
Monoisotopic Mass600.20273510
Topological Polar Surface Area305 Ų
Heavy Atom Count42
Formal Charge0
Complexity1210
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count9
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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