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1217665-32-1 | Benzenepropanoic acid, β-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-α-hydroxy-, (αR,βR)-rel-
CAS No: 1217665-32-1 Catalog No: AG0015VJ MDL No:MFCD02684462
Product Description
Catalog Number:
AG0015VJ
Chemical Name:
Benzenepropanoic acid, β-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-α-hydroxy-, (αR,βR)-rel-
CAS Number:
1217665-32-1
Molecular Formula:
C24H21NO5
Molecular Weight:
403.4272
MDL Number:
MFCD02684462
IUPAC Name:
(2R,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-hydroxy-3-phenylpropanoic acid
InChI:
InChI=1S/C24H21NO5/c26-22(23(27)28)21(15-8-2-1-3-9-15)25-24(29)30-14-20-18-12-6-4-10-16(18)17-11-5-7-13-19(17)20/h1-13,20-22,26H,14H2,(H,25,29)(H,27,28)/t21-,22-/m1/s1
InChI Key:
QOYRELXVQPLAAB-FGZHOGPDSA-N
SMILES:
O=C(N[C@@H]([C@H](C(=O)O)O)c1ccccc1)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
582
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
403.142g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
403.434g/mol
Monoisotopic Mass:
403.142g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
95.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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