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64205-12-5 | (R)-2-(((Benzyloxy)carbonyl)amino)-3-(4-hydroxyphenyl)propanoic acid
CAS No: 64205-12-5 Catalog No: AG003VDL MDL No:MFCD00063031
Product Description
Catalog Number:
AG003VDL
Chemical Name:
(R)-2-(((Benzyloxy)carbonyl)amino)-3-(4-hydroxyphenyl)propanoic acid
CAS Number:
64205-12-5
Molecular Formula:
C17H17NO5
Molecular Weight:
315.3206
MDL Number:
MFCD00063031
IUPAC Name:
(2R)-3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoic acid
InChI:
InChI=1S/C17H17NO5/c19-14-8-6-12(7-9-14)10-15(16(20)21)18-17(22)23-11-13-4-2-1-3-5-13/h1-9,15,19H,10-11H2,(H,18,22)(H,20,21)/t15-/m1/s1
InChI Key:
MCRMUCXATQAAMN-OAHLLOKOSA-N
SMILES:
O=C(N[C@@H](C(=O)O)Cc1ccc(cc1)O)OCc1ccccc1
Properties
Complexity:
386
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
315.111g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
315.325g/mol
Monoisotopic Mass:
315.111g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
95.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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