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Boc-D-allo-Ile-OH

CAS No.:
55780-90-0
Catalog Number:
AG0039RX
Molecular Formula:
C11H21NO4
Molecular Weight:
231.2887
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$63
- +
5g
98%
In Stock USA
United States
$219
- +
25g
98%
In Stock USA
United States
$844
- +
Product Description
Catalog Number:
AG0039RX
Chemical Name:
Boc-D-allo-Ile-OH
CAS Number:
55780-90-0
Molecular Formula:
C11H21NO4
Molecular Weight:
231.2887
MDL Number:
MFCD05662352
IUPAC Name:
(2R,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
InChI:
InChI=1S/C11H21NO4/c1-6-7(2)8(9(13)14)12-10(15)16-11(3,4)5/h7-8H,6H2,1-5H3,(H,12,15)(H,13,14)/t7-,8+/m0/s1
InChI Key:
QJCNLJWUIOIMMF-JGVFFNPUSA-N
SMILES:
CC[C@@H]([C@H](C(=O)O)NC(=O)OC(C)(C)C)C
Properties
Complexity:
257  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
231.147g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
231.292g/mol
Monoisotopic Mass:
231.147g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Literature
Title Journal
Asymmetric, anti-selective scandium-catalyzed Sakurai additions to glyoxyamide. Applications to the syntheses of N-boc D-alloisoleucine and D-isoleucine. Organic letters 20060511
Properties