Home Halogens Boc-6-chloro-D-tryptophan

Boc-6-chloro-D-tryptophan

CAS No.:
1217738-82-3
Catalog Number:
AG009IRX
Molecular Formula:
C16H19ClN2O4
Molecular Weight:
338.7861
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Product Description
Catalog Number:
AG009IRX
Chemical Name:
Boc-6-chloro-D-tryptophan
CAS Number:
1217738-82-3
Molecular Formula:
C16H19ClN2O4
Molecular Weight:
338.7861
MDL Number:
MFCD09750493
IUPAC Name:
(2R)-3-(6-chloro-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI:
InChI=1S/C16H19ClN2O4/c1-16(2,3)23-15(22)19-13(14(20)21)6-9-8-18-12-7-10(17)4-5-11(9)12/h4-5,7-8,13,18H,6H2,1-3H3,(H,19,22)(H,20,21)/t13-/m1/s1
InChI Key:
QIUZGOVYNVWFFN-CYBMUJFWSA-N
SMILES:
O=C(OC(C)(C)C)N[C@@H](C(=O)O)Cc1c[nH]c2c1ccc(c2)Cl
Properties
Complexity:
452  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
338.103g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
338.788g/mol
Monoisotopic Mass:
338.103g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
91.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties