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AA07262

101854-42-6 | Boc-d-dab(z)-oh dcha

Packsize Purity Availability Price Discounted Price    Quantity
1g 97% In Stock US $71.00 $50.00 -   +
5g 97% In Stock US $285.00 $200.00 -   +
10g 97% In Stock US $515.00 $360.00 -   +
25g 97% In Stock US $1,029.00 $720.00 -   +

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*All prices are in USD.

Description
Catalog Number: AA07262
Chemical Name: Boc-d-dab(z)-oh dcha
CAS Number: 101854-42-6
Molecular Formula: C29H47N3O6
Molecular Weight: 533.7000
MDL Number: MFCD00798628
IUPAC Name: N-cyclohexylcyclohexanamine;(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(phenylmethoxycarbonylamino)butanoic acid
InChl: InChI=1S/C17H24N2O6.C12H23N/c1-17(2,3)25-16(23)19-13(14(20)21)9-10-18-15(22)24-11-12-7-5-4-6-8-12;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h4-8,13H,9-11H2,1-3H3,(H,18,22)(H,19,23)(H,20,21);11-13H,1-10H2/t13-;/m1./s1
InChl Key: CBSVEVKFQHTZSP-BTQNPOSSSA-N
SMILES: C1CCC(CC1)NC1CCCCC1.O=C(OCc1ccccc1)NCC[C@H](C(=O)O)NC(=O)OC(C)(C)C

 

Computed Properties
Complexity: 571  
Compound Is Canonicalized: Yes
Covalently-Bonded Unit Count: 2  
Defined Atom Stereocenter Count: 1  
Defined Bond Stereocenter Count: 0
Exact Mass: 533.346g/mol
Formal Charge: 0
Heavy Atom Count: 38  
Hydrogen Bond Acceptor Count: 7  
Hydrogen Bond Donor Count: 4  
Isotope Atom Count: 0
Molecular Weight: 533.71g/mol
Monoisotopic Mass: 533.346g/mol
Rotatable Bond Count: 12  
Topological Polar Surface Area: 126A^2
Undefined Atom Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0

 

 

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