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Polyoxin M

CAT: 0013-GTR19266120-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19266120-01Size:50 mg
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Description
Polyoxin M is a nucleoside-type antifungal antibiotic that demonstrates significant effectiveness against rice sheath blight.
CAS Number
34718-88-2
Field of Research
Infectious Disease & Virology
Smiles
O[C@H]1[C@@H] (O[C@] ([C@H] (NC ([C@H] (C[C@H] (COC (N) =O) O) N) =O) C (O) =O) ([C@H]1O) [H]) N2C (=O) NC (=O) C=C2
Molecular Formula
C16H23N5O11
Molecular Weight
461.38
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(2S)-2-[[(2S,4R)-2-amino-5-carbamoyloxy-4-hydroxypentanoyl]amino]-2-[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid
CAS Number34718-88-2
PubChem CID11954880
IUPAC Name(2S)-2-[[(2S,4R)-2-amino-5-carbamoyloxy-4-hydroxypentanoyl]amino]-2-[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid
Molecular FormulaC16H23N5O11
Molecular Weight461.38
XLogP-6.8
Topological Polar Surface Area264
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count12
Rotatable Bond Count10
Heavy Atom Count32
Formal Charge0
Complexity805
SMILES
C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)[C@@H](C(=O)O)NC(=O)[C@H](C[C@H](COC(=O)N)O)N)O)O
InChI
InChI=1S/C16H23N5O11/c17-6(3-5(22)4-31-15(18)29)12(26)20-8(14(27)28)11-9(24)10(25)13(32-11)21-2-1-7(23)19-16(21)30/h1-2,5-6,8-11,13,22,24-25H,3-4,17H2,(H2,18,29)(H,20,26)(H,27,28)(H,19,23,30)/t5-,6+,8+,9+,10-,11-,13-/m1/s1
InChIKey
KLGJSYVHKXIJLP-HOXIUMCQSA-N
Chemical Structure
2D Structure
2D structure of (2S)-2-[[(2S,4R)-2-amino-5-carbamoyloxy-4-hydroxypentanoyl]amino]-2-[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid
CAS: 34718-88-2
CID: 11954880
Formula: C16H23N5O11
MW: 461.38
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight461.38
XLogP3-6.8
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count12
Rotatable Bond Count10
Exact Mass461.13940657
Monoisotopic Mass461.13940657
Topological Polar Surface Area264 Ų
Heavy Atom Count32
Formal Charge0
Complexity805
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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