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Home > Fluorides > 180570-71-2
180570-71-2 | D-Asparagine, N2-[(9H-fluoren-9-ylmethoxy)carbonyl]-N-(triphenylmethyl)-
CAS No: 180570-71-2 Catalog No: AG00224E MDL No:MFCD00151919
Product Description
Catalog Number:
AG00224E
Chemical Name:
D-Asparagine, N2-[(9H-fluoren-9-ylmethoxy)carbonyl]-N-(triphenylmethyl)-
CAS Number:
180570-71-2
Molecular Formula:
C38H32N2O5
Molecular Weight:
596.6711
MDL Number:
MFCD00151919
IUPAC Name:
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-4-(tritylamino)butanoic acid
InChI:
InChI=1S/C38H32N2O5/c41-35(40-38(26-14-4-1-5-15-26,27-16-6-2-7-17-27)28-18-8-3-9-19-28)24-34(36(42)43)39-37(44)45-25-33-31-22-12-10-20-29(31)30-21-11-13-23-32(30)33/h1-23,33-34H,24-25H2,(H,39,44)(H,40,41)(H,42,43)/t34-/m1/s1
InChI Key:
KJYAFJQCGPUXJY-UUWRZZSWSA-N
SMILES:
NC(=O)C[C@@H](N(C(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)OCC1c2ccccc2c2c1cccc2)C(=O)O
Properties
Complexity:
931
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
596.231g/mol
Formal Charge:
0
Heavy Atom Count:
45
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
596.683g/mol
Monoisotopic Mass:
596.231g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6
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