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86060-92-6 | Fmoc-Phe-OPfp
CAS No: 86060-92-6 Catalog No: AG003QNZ MDL No:MFCD00065669
Product Description
Catalog Number:
AG003QNZ
Chemical Name:
Fmoc-Phe-OPfp
CAS Number:
86060-92-6
Molecular Formula:
C30H20F5NO4
Molecular Weight:
553.4761
MDL Number:
MFCD00065669
IUPAC Name:
(2,3,4,5,6-pentafluorophenyl) (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoate
InChI:
InChI=1S/C30H20F5NO4/c31-23-24(32)26(34)28(27(35)25(23)33)40-29(37)22(14-16-8-2-1-3-9-16)36-30(38)39-15-21-19-12-6-4-10-17(19)18-11-5-7-13-20(18)21/h1-13,21-22H,14-15H2,(H,36,38)/t22-/m0/s1
InChI Key:
WKHPSOMXNCTXPK-QFIPXVFZSA-N
SMILES:
O=C(N[C@H](C(=O)Oc1c(F)c(F)c(c(c1F)F)F)Cc1ccccc1)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
837
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
553.131g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
553.485g/mol
Monoisotopic Mass:
553.131g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7
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