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75621-03-3,MFCD00081083
Catalog No.:AA00ICKI

75621-03-3 | 3-(3-Cholamidopropyl)dimethylammonio-1-propanesulfonate

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  • Properties
  • Downstream Synthesis Route
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00ICKI
Chemical Name:
3-(3-Cholamidopropyl)dimethylammonio-1-propanesulfonate
CAS Number:
75621-03-3
Molecular Formula:
C32H58N2O7S
Molecular Weight:
614.8771
MDL Number:
MFCD00081083
SMILES:
O[C@@H]1CC[C@]2([C@@H](C1)C[C@H]([C@@H]1[C@@H]2C[C@H](O)[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)NCCC[N+](CCCS(=O)(=O)[O-])(C)C)C)C)O)C
Properties
Computed Properties
 
Complexity:
1030  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
11  
Heavy Atom Count:
42  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
4  
Rotatable Bond Count:
11  
XLogP3:
2.9  

Downstream Synthesis Route
C88H60N4O4 
  75621-03-3   
C88H56N4(4+)*4Cl(1-)*C32H58N2O7S 

[1]AngewandteChemie-InternationalEdition,2017,vol.56,p.11360-11364    Angew.Chem.,2017,vol.129,p.11518-11522,5

C88H56N4(4+)*4Cl(1-) 
  75621-03-3   
C88H56N4(4+)*4Cl(1-)*C32H58N2O7S 

[1]AngewandteChemie-InternationalEdition,2017,vol.56,p.11360-11364    Angew.Chem.,2017,vol.129,p.11518-11522,5

C88H56N4(4+)*4Cl(1-)*C32H58N2O7S 
 
C88H60N4O4 
  75621-03-3 

[1]AngewandteChemie-InternationalEdition,2017,vol.56,p.11360-11364    Angew.Chem.,2017,vol.129,p.11518-11522,5

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Tags:75621-03-3 Molecular Formula|75621-03-3 MDL|75621-03-3 SMILES|75621-03-3 3-(3-Cholamidopropyl)dimethylammonio-1-propanesulfonate