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Home > Fluorides > 1624260-23-6
1624260-23-6 | Aspartic acid, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-3,3-dimethyl-, 4-(1,1-dimethylethyl) ester
CAS No: 1624260-23-6 Catalog No: AG001T4C MDL No:
Product Description
Catalog Number:
AG001T4C
Chemical Name:
Aspartic acid, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-3,3-dimethyl-, 4-(1,1-dimethylethyl) ester
CAS Number:
1624260-23-6
Molecular Formula:
C25H28NO6-
Molecular Weight:
438.4929
IUPAC Name:
2-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3-dimethyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
InChI:
InChI=1S/C25H29NO6/c1-24(2,3)32-22(29)25(4,5)20(21(27)28)26-23(30)31-14-19-17-12-8-6-10-15(17)16-11-7-9-13-18(16)19/h6-13,19-20H,14H2,1-5H3,(H,26,30)(H,27,28)
InChI Key:
DJGFHXKITHLQAM-UHFFFAOYSA-N
SMILES:
O=C(N[C@@H](C(C(=O)OC(C)(C)C)(C)C)C(=O)[O-])OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
690
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
9
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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