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Home > Fluorides > 131545-63-6
131545-63-6 | D-Threonine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-O-(phenylmethyl)-
CAS No: 131545-63-6 Catalog No: AG000ZEW MDL No:MFCD00237033
Product Description
Catalog Number:
AG000ZEW
Chemical Name:
D-Threonine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-O-(phenylmethyl)-
CAS Number:
131545-63-6
Molecular Formula:
C26H25NO5
Molecular Weight:
431.4804
MDL Number:
MFCD00237033
IUPAC Name:
(2R,3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylmethoxybutanoic acid
InChI:
InChI=1S/C26H25NO5/c1-17(31-15-18-9-3-2-4-10-18)24(25(28)29)27-26(30)32-16-23-21-13-7-5-11-19(21)20-12-6-8-14-22(20)23/h2-14,17,23-24H,15-16H2,1H3,(H,27,30)(H,28,29)/t17-,24+/m0/s1
InChI Key:
UCDMMWCWPVCHLL-BXKMTCNYSA-N
SMILES:
O=C(N[C@H]([C@@H](OCc1ccccc1)C)C(=O)O)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
612
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
431.173g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
431.488g/mol
Monoisotopic Mass:
431.173g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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