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125942-79-2 | D-Alanine, N-[(1,1-dimethylethoxy)carbonyl]-3-iodo-, phenylmethyl ester
CAS No: 125942-79-2 Catalog No: AG000QKP MDL No:MFCD00191867
Product Description
Catalog Number:
AG000QKP
Chemical Name:
D-Alanine, N-[(1,1-dimethylethoxy)carbonyl]-3-iodo-, phenylmethyl ester
CAS Number:
125942-79-2
Molecular Formula:
C15H20INO4
Molecular Weight:
405.2281
MDL Number:
MFCD00191867
IUPAC Name:
benzyl (2S)-3-iodo-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
InChI:
InChI=1S/C15H20INO4/c1-15(2,3)21-14(19)17-12(9-16)13(18)20-10-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,17,19)/t12-/m1/s1
InChI Key:
DDXFSYLOWHQCEK-GFCCVEGCSA-N
SMILES:
IC[C@H](C(=O)OCc1ccccc1)NC(=O)OC(C)(C)C
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
405.044g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
405.232g/mol
Monoisotopic Mass:
405.044g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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