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69863-36-1 | Z-Thr(Bzl)-OH
CAS No: 69863-36-1 Catalog No: AG003TEH MDL No:MFCD00077042
Product Description
Catalog Number:
AG003TEH
Chemical Name:
Z-Thr(Bzl)-OH
CAS Number:
69863-36-1
Molecular Formula:
C19H21NO5
Molecular Weight:
343.3737
MDL Number:
MFCD00077042
IUPAC Name:
(2S,3R)-3-phenylmethoxy-2-(phenylmethoxycarbonylamino)butanoic acid
InChI:
InChI=1S/C19H21NO5/c1-14(24-12-15-8-4-2-5-9-15)17(18(21)22)20-19(23)25-13-16-10-6-3-7-11-16/h2-11,14,17H,12-13H2,1H3,(H,20,23)(H,21,22)/t14-,17+/m1/s1
InChI Key:
FVKJXAYBJIAXAU-PBHICJAKSA-N
SMILES:
O=C(N[C@@H]([C@H](OCc1ccccc1)C)C(=O)O)OCc1ccccc1
Properties
Complexity:
416
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
343.142g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
343.379g/mol
Monoisotopic Mass:
343.142g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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