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159751-47-0 | Hexanedioic acid, 2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, 6-(1,1-dimethylethyl) ester, (2S)-
CAS No: 159751-47-0 Catalog No: AG001RDP MDL No:MFCD00237006
Product Description
Catalog Number:
AG001RDP
Chemical Name:
Hexanedioic acid, 2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, 6-(1,1-dimethylethyl) ester, (2S)-
CAS Number:
159751-47-0
Molecular Formula:
C25H28NO6-
Molecular Weight:
438.4929
MDL Number:
MFCD00237006
IUPAC Name:
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[(2-methylpropan-2-yl)oxy]-6-oxohexanoic acid
InChI:
InChI=1S/C25H29NO6/c1-25(2,3)32-22(27)14-8-13-21(23(28)29)26-24(30)31-15-20-18-11-6-4-9-16(18)17-10-5-7-12-19(17)20/h4-7,9-12,20-21H,8,13-15H2,1-3H3,(H,26,30)(H,28,29)/t21-/m0/s1
InChI Key:
FFLAQPKWVSSKJC-NRFANRHFSA-N
SMILES:
O=C(N[C@H](C(=O)[O-])CCCC(=O)OC(C)(C)C)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
650
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
439.199g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
439.508g/mol
Monoisotopic Mass:
439.199g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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