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161263-50-9,MFCD14635431
Catalog No.:AA00AQI5

161263-50-9 | berninamycin D

Pack Size
Purity
Availability
Price(USD)
Quantity
  
2.5mg
≥95%
in stock  
$1,716.00   $1,201.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00AQI5
Chemical Name:
berninamycin D
CAS Number:
161263-50-9
Molecular Formula:
C45H45N13O13S
Molecular Weight:
1007.9831
MDL Number:
MFCD14635431
SMILES:
C/C=C\1/NC(=O)C(NC(=O)c2csc(n2)c2ccc(nc2c2coc(n2)C(=C)NC(=O)C(=C)NC(=O)c2nc(C(=C)NC(=O)C(NC(=O)C(=C)NC(=O)c3nc1oc3C)C(O)(C)C)oc2C)C(=O)N)C(O)C
Properties
Computed Properties
 
Complexity:
2280  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
1  
Formal Charge:
0  
Heavy Atom Count:
72  
Hydrogen Bond Acceptor Count:
19  
Hydrogen Bond Donor Count:
10  
Isotope Atom Count:
0  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
3  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.6  

Literature
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SDS
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Tags:161263-50-9 Molecular Formula|161263-50-9 MDL|161263-50-9 SMILES|161263-50-9 berninamycin D
Catalog No.: AA00AQI5
161263-50-9,MFCD14635431
161263-50-9 | berninamycin D
Pack Size： 2.5mg
Purity： ≥95%
in stock
$1,716.00 $1,201.00
Quantity
- +
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bulk Quotation Request
Technical Information
Catalog Number: AA00AQI5
Chemical Name: berninamycin D
CAS Number: 161263-50-9
Molecular Formula: C45H45N13O13S
Molecular Weight: 1007.9831
MDL Number: MFCD14635431
SMILES: C/C=C\1/NC(=O)C(NC(=O)c2csc(n2)c2ccc(nc2c2coc(n2)C(=C)NC(=O)C(=C)NC(=O)c2nc(C(=C)NC(=O)C(NC(=O)C(=C)NC(=O)c3nc1oc3C)C(O)(C)C)oc2C)C(=O)N)C(O)C
Properties
Complexity: 2280  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 1  
Formal Charge: 0  
Heavy Atom Count: 72  
Hydrogen Bond Acceptor Count: 19  
Hydrogen Bond Donor Count: 10  
Isotope Atom Count: 0  
Rotatable Bond Count: 3  
Undefined Atom Stereocenter Count: 3  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.6  
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