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273221-75-3 | Boc-3-Iodo-L-Phenylalanine
CAS No: 273221-75-3 Catalog No: AG00I56B MDL No:MFCD01860644
Product Description
Catalog Number:
AG00I56B
Chemical Name:
Boc-3-Iodo-L-Phenylalanine
CAS Number:
273221-75-3
Molecular Formula:
C14H18INO4
Molecular Weight:
391.2015
MDL Number:
MFCD01860644
IUPAC Name:
(2S)-3-(3-iodophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI:
InChI=1S/C14H18INO4/c1-14(2,3)20-13(19)16-11(12(17)18)8-9-5-4-6-10(15)7-9/h4-7,11H,8H2,1-3H3,(H,16,19)(H,17,18)/t11-/m0/s1
InChI Key:
MPTBEGFNTNOLNZ-NSHDSACASA-N
SMILES:
O=C(OC(C)(C)C)N[C@H](C(=O)O)Cc1cccc(c1)I
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
391.028g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
391.205g/mol
Monoisotopic Mass:
391.028g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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