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Home > Fluorides > 138775-48-1
138775-48-1 | D-Tyrosine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-O-(phenylmethyl)-
CAS No: 138775-48-1 Catalog No: AG0019JT MDL No:MFCD00235837
Product Description
Catalog Number:
AG0019JT
Chemical Name:
D-Tyrosine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-O-(phenylmethyl)-
CAS Number:
138775-48-1
Molecular Formula:
C31H27NO5
Molecular Weight:
493.5498
MDL Number:
MFCD00235837
IUPAC Name:
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-phenylmethoxyphenyl)propanoic acid
InChI:
InChI=1S/C31H27NO5/c33-30(34)29(18-21-14-16-23(17-15-21)36-19-22-8-2-1-3-9-22)32-31(35)37-20-28-26-12-6-4-10-24(26)25-11-5-7-13-27(25)28/h1-17,28-29H,18-20H2,(H,32,35)(H,33,34)/t29-/m1/s1
InChI Key:
REHSJSKPWIOKIJ-GDLZYMKVSA-N
SMILES:
O=C(N[C@@H](C(=O)O)Cc1ccc(cc1)OCc1ccccc1)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
722
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
493.189g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
493.559g/mol
Monoisotopic Mass:
493.189g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
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