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155542-33-9 | D-Aspartic acid, N-[(1,1-diMethylethoxy)carbonyl]-, 4-(1,1-diMethylethyl) ester
CAS No: 155542-33-9 Catalog No: AG001O07 MDL No:MFCD01861313
Product Description
Catalog Number:
AG001O07
Chemical Name:
D-Aspartic acid, N-[(1,1-diMethylethoxy)carbonyl]-, 4-(1,1-diMethylethyl) ester
CAS Number:
155542-33-9
Molecular Formula:
C13H22NO6-
Molecular Weight:
288.3169
MDL Number:
MFCD01861313
IUPAC Name:
(2R)-4-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid
InChI:
InChI=1S/C13H23NO6/c1-12(2,3)19-9(15)7-8(10(16)17)14-11(18)20-13(4,5)6/h8H,7H2,1-6H3,(H,14,18)(H,16,17)/t8-/m1/s1
InChI Key:
PHJDCONJXLIIPW-MRVPVSSYSA-N
SMILES:
O=C(OC(C)(C)C)C[C@H](C(=O)[O-])NC(=O)OC(C)(C)C
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
289.153g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
289.328g/mol
Monoisotopic Mass:
289.153g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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