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138774-94-4 | 2-Naphthalenepropanoic acid, α-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (αR)-
CAS No: 138774-94-4 Catalog No: AG0019IN MDL No:MFCD00077044
Product Description
Catalog Number:
AG0019IN
Chemical Name:
2-Naphthalenepropanoic acid, α-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (αR)-
CAS Number:
138774-94-4
Molecular Formula:
C28H23NO4
Molecular Weight:
437.4865
MDL Number:
MFCD00077044
IUPAC Name:
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-naphthalen-2-ylpropanoic acid
InChI:
InChI=1S/C28H23NO4/c30-27(31)26(16-18-13-14-19-7-1-2-8-20(19)15-18)29-28(32)33-17-25-23-11-5-3-9-21(23)22-10-4-6-12-24(22)25/h1-15,25-26H,16-17H2,(H,29,32)(H,30,31)/t26-/m1/s1
InChI Key:
JYUTZJVERLGMQZ-AREMUKBSSA-N
SMILES:
O=C(N[C@@H](C(=O)O)Cc1ccc2c(c1)cccc2)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
673
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
437.163g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
437.495g/mol
Monoisotopic Mass:
437.163g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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