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AA05978

101555-61-7 | Boc-D-beta-homophenylalanine

Packsize Purity Availability Price Discounted Price    Quantity
250mg 97% In Stock US $117.00 $82.00 -   +
1g 95% In Stock US $236.00 $165.00 -   +
5g 95% In Stock US $1,136.00 $795.00 -   +

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Description
Catalog Number: AA05978
Chemical Name: Boc-D-beta-homophenylalanine
CAS Number: 101555-61-7
Molecular Formula: C15H21NO4
Molecular Weight: 279.3315
MDL Number: MFCD01076270
IUPAC Name: (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutanoic acid
InChl: InChI=1S/C15H21NO4/c1-15(2,3)20-14(19)16-12(10-13(17)18)9-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,16,19)(H,17,18)/t12-/m1/s1
InChl Key: ACKWQHCPHJQANL-GFCCVEGCSA-N
SMILES: OC(=O)C[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C

 

Computed Properties
Complexity: 329  
Compound Is Canonicalized: Yes
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 1  
Defined Bond Stereocenter Count: 0
Exact Mass: 279.147g/mol
Formal Charge: 0
Heavy Atom Count: 20  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 2  
Isotope Atom Count: 0
Molecular Weight: 279.336g/mol
Monoisotopic Mass: 279.147g/mol
Rotatable Bond Count: 7  
Topological Polar Surface Area: 75.6A^2
Undefined Atom Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: 2.4  

 

 

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