3811-31-2
Catalog No.:AA01E4A1

3811-31-2 | Isotetracycline

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  • Properties
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Technical Information
Catalog Number:
AA01E4A1
Chemical Name:
Isotetracycline
CAS Number:
3811-31-2
Molecular Formula:
C22H24N2O8
Molecular Weight:
444.4346
SMILES:
CN([C@@H]1C(=C(C(=O)N)C(=O)[C@@]2([C@H]1C[C@@H](CC2=O)[C@]1(C)OC(=O)c2c1cccc2O)O)O)C
Properties
Computed Properties
 
Complexity:
929  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
5  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
32  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.1  

Literature
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SDS
Related Products of 3811-31-2
Tags:3811-31-2 Molecular Formula|3811-31-2 MDL|3811-31-2 SMILES|3811-31-2 Isotetracycline
Catalog No.: AA01E4A1
3811-31-2
3811-31-2 | Isotetracycline
This product is typically in stock,please click "Inquire" below or contact us at [email protected]for pricing and availability information.
Inquire
Technical Information
Catalog Number: AA01E4A1
Chemical Name: Isotetracycline
CAS Number: 3811-31-2
Molecular Formula: C22H24N2O8
Molecular Weight: 444.4346
SMILES: CN([C@@H]1C(=C(C(=O)N)C(=O)[C@@]2([C@H]1C[C@@H](CC2=O)[C@]1(C)OC(=O)c2c1cccc2O)O)O)C
Properties
Complexity: 929  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 5  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 32  
Hydrogen Bond Acceptor Count: 9  
Hydrogen Bond Donor Count: 4  
Isotope Atom Count: 0  
Rotatable Bond Count: 3  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.1  
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