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116450-06-7,MFCD00792864
Catalog No.:AA000CFH

116450-06-7 | α-Neuraminic acid, N-acetyl-2-S-methyl-2-thio-, methyl ester, 4,7,8,9-tetraacetate

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  • Technical Information
  • Properties
  • Literature
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Technical Information
Catalog Number:
AA000CFH
Chemical Name:
α-Neuraminic acid, N-acetyl-2-S-methyl-2-thio-, methyl ester, 4,7,8,9-tetraacetate
CAS Number:
116450-06-7
Molecular Formula:
C21H31NO12S
Molecular Weight:
521.5353
MDL Number:
MFCD00792864
SMILES:
COC(=O)[C@@]1(SC)C[C@H](OC(=O)C)[C@H]([C@@H](O1)[C@@H]([C@H](OC(=O)C)COC(=O)C)OC(=O)C)NC(=O)C
Properties
Computed Properties
 
Complexity:
833  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
6  
Heavy Atom Count:
35  
Hydrogen Bond Acceptor Count:
13  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
15  
XLogP3:
1  

Literature
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SDS
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Tags:116450-06-7 Molecular Formula|116450-06-7 MDL|116450-06-7 SMILES|116450-06-7 α-Neuraminic acid, N-acetyl-2-S-methyl-2-thio-, methyl ester, 4,7,8,9-tetraacetate
Catalog No.: AA000CFH
116450-06-7,MFCD00792864
116450-06-7 | α-Neuraminic acid, N-acetyl-2-S-methyl-2-thio-, methyl ester, 4,7,8,9-tetraacetate
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: AA000CFH
Chemical Name: α-Neuraminic acid, N-acetyl-2-S-methyl-2-thio-, methyl ester, 4,7,8,9-tetraacetate
CAS Number: 116450-06-7
Molecular Formula: C21H31NO12S
Molecular Weight: 521.5353
MDL Number: MFCD00792864
SMILES: COC(=O)[C@@]1(SC)C[C@H](OC(=O)C)[C@H]([C@@H](O1)[C@@H]([C@H](OC(=O)C)COC(=O)C)OC(=O)C)NC(=O)C
Properties
Complexity: 833  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 6  
Heavy Atom Count: 35  
Hydrogen Bond Acceptor Count: 13  
Hydrogen Bond Donor Count: 1  
Rotatable Bond Count: 15  
XLogP3: 1  
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