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Nikkomycin M

CAT: 0931-T25872-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T25872-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
77368-62-8
Target
Others
Related Pathways
Others
Bioactivity
Nikkomycin M is used as an insecticide.
Smiles
NC(C1OC(C(O)C1O)n1cc(C=O)[nH]c1=O)C(=O)NC(CCC(O)=O)C(O)=O
Molecular Formula
C15H20N4O10
Molecular Weight
416.343
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Nikkomycin M
CAS Number77368-62-8
PubChem CID3059867
IUPAC Name2-[[2-amino-2-[5-(5-formyl-2-oxo-1H-imidazol-3-yl)-3,4-dihydroxyoxolan-2-yl]acetyl]amino]pentanedioic acid
Molecular FormulaC15H20N4O10
Molecular Weight416.34
XLogP-6.2
Topological Polar Surface Area229
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count11
Rotatable Bond Count9
Heavy Atom Count29
Formal Charge0
Complexity741
SMILES
C1=C(NC(=O)N1C2C(C(C(O2)C(C(=O)NC(CCC(=O)O)C(=O)O)N)O)O)C=O
InChI
InChI=1S/C15H20N4O10/c16-8(12(25)18-6(14(26)27)1-2-7(21)22)11-9(23)10(24)13(29-11)19-3-5(4-20)17-15(19)28/h3-4,6,8-11,13,23-24H,1-2,16H2,(H,17,28)(H,18,25)(H,21,22)(H,26,27)
InChIKey
NBXXBNKMLQTMIN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Nikkomycin M
CAS: 77368-62-8
CID: 3059867
Formula: C15H20N4O10
MW: 416.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight416.34
XLogP3-6.2
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count11
Rotatable Bond Count9
Exact Mass416.11794285
Monoisotopic Mass416.11794285
Topological Polar Surface Area229 Ų
Heavy Atom Count29
Formal Charge0
Complexity741
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count6
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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