Home Carbonyls Heptanedioic acid, 2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, 7-(1,1-dimethylethyl) ester, (2S)-

Heptanedioic acid, 2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, 7-(1,1-dimethylethyl) ester, (2S)-

CAS No.:
159751-46-9
Catalog Number:
AG001RDQ
Molecular Formula:
C26H30NO6-
Molecular Weight:
452.5195
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Product Description
Catalog Number:
AG001RDQ
Chemical Name:
Heptanedioic acid, 2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, 7-(1,1-dimethylethyl) ester, (2S)-
CAS Number:
159751-46-9
Molecular Formula:
C26H30NO6-
Molecular Weight:
452.5195
MDL Number:
MFCD08166552
IUPAC Name:
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-7-[(2-methylpropan-2-yl)oxy]-7-oxoheptanoic acid
InChI:
InChI=1S/C26H31NO6/c1-26(2,3)33-23(28)15-9-8-14-22(24(29)30)27-25(31)32-16-21-19-12-6-4-10-17(19)18-11-5-7-13-20(18)21/h4-7,10-13,21-22H,8-9,14-16H2,1-3H3,(H,27,31)(H,29,30)/t22-/m0/s1
InChI Key:
IAWSYDYLILBRJM-QFIPXVFZSA-N
SMILES:
O=C(N[C@H](C(=O)[O-])CCCCC(=O)OC(C)(C)C)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
665  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
453.215g/mol
Formal Charge:
0
Heavy Atom Count:
33  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
453.535g/mol
Monoisotopic Mass:
453.215g/mol
Rotatable Bond Count:
12  
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6  
Properties