67030-62-0
Catalog No.:AA00FHXR

67030-62-0 | 2-[[(3a,5b,7a,12a)-7,12-dihydroxy-24-oxo-3-(sulfooxy)cholan-24-yl]amino]-ethanesulfonic acid

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  • Properties
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Technical Information
Catalog Number:
AA00FHXR
Chemical Name:
2-[[(3a,5b,7a,12a)-7,12-dihydroxy-24-oxo-3-(sulfooxy)cholan-24-yl]amino]-ethanesulfonic acid
CAS Number:
67030-62-0
Molecular Formula:
C26H45NO10S2
Molecular Weight:
595.7662
SMILES:
O=C(CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)[C@@H](O)C[C@H]1[C@H]2[C@H](O)C[C@H]2[C@]1(C)CC[C@H](C2)OS(=O)(=O)O)C)NCCS(=O)(=O)O
Properties
Computed Properties
 
Complexity:
1120  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
11  
Heavy Atom Count:
39  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
5  
Rotatable Bond Count:
9  
XLogP3:
1.8  

Literature
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SDS
Tags:67030-62-0 Molecular Formula|67030-62-0 MDL|67030-62-0 SMILES|67030-62-0 2-[[(3a,5b,7a,12a)-7,12-dihydroxy-24-oxo-3-(sulfooxy)cholan-24-yl]amino]-ethanesulfonic acid
Catalog No.: AA00FHXR
67030-62-0
67030-62-0 | 2-[[(3a,5b,7a,12a)-7,12-dihydroxy-24-oxo-3-(sulfooxy)cholan-24-yl]amino]-ethanesulfonic acid
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: AA00FHXR
Chemical Name: 2-[[(3a,5b,7a,12a)-7,12-dihydroxy-24-oxo-3-(sulfooxy)cholan-24-yl]amino]-ethanesulfonic acid
CAS Number: 67030-62-0
Molecular Formula: C26H45NO10S2
Molecular Weight: 595.7662
SMILES: O=C(CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)[C@@H](O)C[C@H]1[C@H]2[C@H](O)C[C@H]2[C@]1(C)CC[C@H](C2)OS(=O)(=O)O)C)NCCS(=O)(=O)O
Properties
Complexity: 1120  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 11  
Heavy Atom Count: 39  
Hydrogen Bond Acceptor Count: 10  
Hydrogen Bond Donor Count: 5  
Rotatable Bond Count: 9  
XLogP3: 1.8  
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