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102507-18-6 | D-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-β-hydroxy-, (βS)-rel-
CAS No: 102507-18-6 Catalog No: AG0007M5 MDL No:MFCD03844669
Product Description
Catalog Number:
AG0007M5
Chemical Name:
D-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-β-hydroxy-, (βS)-rel-
CAS Number:
102507-18-6
Molecular Formula:
C14H19NO5
Molecular Weight:
281.3044
MDL Number:
MFCD03844669
IUPAC Name:
(2R,3S)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid
InChI:
InChI=1S/C14H19NO5/c1-14(2,3)20-13(19)15-10(12(17)18)11(16)9-7-5-4-6-8-9/h4-8,10-11,16H,1-3H3,(H,15,19)(H,17,18)/t10-,11+/m1/s1
InChI Key:
NONUVMOXNPGTBK-MNOVXSKESA-N
SMILES:
O=C(OC(C)(C)C)N[C@H]([C@H](c1ccccc1)O)C(=O)O
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
281.126g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
281.308g/mol
Monoisotopic Mass:
281.126g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
95.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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