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138797-71-4

138797-71-4 | D-Threonine, O-(1,1-dimethylethyl)-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-

CAS No: 138797-71-4 Catalog No: AG0019KV MDL No:MFCD00080292

Product Description

Catalog Number:
AG0019KV
Chemical Name:
D-Threonine, O-(1,1-dimethylethyl)-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-
CAS Number:
138797-71-4
Molecular Formula:
C23H27NO5
Molecular Weight:
397.4642
MDL Number:
MFCD00080292
IUPAC Name:
(2R,3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2-methylpropan-2-yl)oxy]butanoic acid
InChI:
InChI=1S/C23H27NO5/c1-14(29-23(2,3)4)20(21(25)26)24-22(27)28-13-19-17-11-7-5-9-15(17)16-10-6-8-12-18(16)19/h5-12,14,19-20H,13H2,1-4H3,(H,24,27)(H,25,26)/t14-,20+/m0/s1
InChI Key:
LZOLWEQBVPVDPR-VBKZILBWSA-N
SMILES:
O=C(N[C@H]([C@@H](OC(C)(C)C)C)C(=O)O)OCC1c2ccccc2c2c1cccc2

Properties

Complexity:
564  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
397.189g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
397.471g/mol
Monoisotopic Mass:
397.189g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4  

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