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133180-01-5 | L-Threonine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-O-(triphenylmethyl)-
CAS No: 133180-01-5 Catalog No: AG0014DC MDL No:MFCD00237034
Product Description
Catalog Number:
AG0014DC
Chemical Name:
L-Threonine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-O-(triphenylmethyl)-
CAS Number:
133180-01-5
Molecular Formula:
C38H33NO5
Molecular Weight:
583.6723
MDL Number:
MFCD00237034
IUPAC Name:
(2S,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-trityloxybutanoic acid
InChI:
InChI=1S/C38H33NO5/c1-26(44-38(27-15-5-2-6-16-27,28-17-7-3-8-18-28)29-19-9-4-10-20-29)35(36(40)41)39-37(42)43-25-34-32-23-13-11-21-30(32)31-22-12-14-24-33(31)34/h2-24,26,34-35H,25H2,1H3,(H,39,42)(H,40,41)/t26-,35+/m1/s1
InChI Key:
JARBLLDDSTVWSM-IJAHGLKVSA-N
SMILES:
O=C(N[C@@H]([C@H](OC(c1ccccc1)(c1ccccc1)c1ccccc1)C)C(=O)O)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
868
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
583.236g/mol
Formal Charge:
0
Heavy Atom Count:
44
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
583.684g/mol
Monoisotopic Mass:
583.236g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.6
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