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78798-08-0,MFCD01939675
Catalog No.:AA00559W

78798-08-0 | Kijanimicin

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2.5mg
≥95%
in stock  
$1,635.00   $1,144.00
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00559W
Chemical Name:
Kijanimicin
CAS Number:
78798-08-0
Molecular Formula:
C67H100N2O24
Molecular Weight:
1317.5099
MDL Number:
MFCD01939675
SMILES:
COC(=O)NC1C(C)OC(CC1(C)[N+](=O)[O-])OC1CC=C(C)C2C=CC3C(C2(C)C(=O)C2=C(OC4(C(C=C1C)C=C(CO)C(C4)C)C2=O)O)C(C)CC(C3OC1OC(C)C(C(C1)OC1OC(C)C(C(C1)OC1CC(O)C(C(O1)C)O)OC1CC(O)C(C(O1)C)OC)O)C
Properties
Computed Properties
 
Complexity:
2900  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
29  
Defined Bond Stereocenter Count:
3  
Heavy Atom Count:
93  
Hydrogen Bond Acceptor Count:
24  
Hydrogen Bond Donor Count:
7  
Rotatable Bond Count:
14  
Undefined Atom Stereocenter Count:
2  
XLogP3:
4.8  

Literature

Title: Molecular architecture of a C-3'-methyltransferase involved in the biosynthesis of D-tetronitrose.

Journal: Biochemistry 20100720

Title: Elucidation of the kijanimicin gene cluster: insights into the biosynthesis of spirotetronate antibiotics and nitrosugars.

Journal: Journal of the American Chemical Society 20071128

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