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1217535-55-1,MFCD28898768
Catalog No.:AA009EXJ

1217535-55-1 | 3-Hydroxymethyl Maraviroc

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Technical Information
Catalog Number:
AA009EXJ
Chemical Name:
3-Hydroxymethyl Maraviroc
CAS Number:
1217535-55-1
Molecular Formula:
C29H41F2N5O2
Molecular Weight:
529.6649
MDL Number:
MFCD28898768
SMILES:
OCc1nnc(n1[C@@H]1C[C@H]2CC[C@@H](C1)N2CC[C@@H](c1ccccc1)NC(=O)C1CCC(CC1)(F)F)C(C)C
Properties
Computed Properties
 
Complexity:
771  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Heavy Atom Count:
38  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
9  
Undefined Atom Stereocenter Count:
2  
XLogP3:
3.9  

Literature
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SDS
Tags:1217535-55-1 Molecular Formula|1217535-55-1 MDL|1217535-55-1 SMILES|1217535-55-1 3-Hydroxymethyl Maraviroc