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130622-08-1 | D-Aspartic acid, N-[(1,1-dimethylethoxy)carbonyl]-, 1,4-dimethyl ester
CAS No: 130622-08-1 Catalog No: AG000UOY MDL No:MFCD11975834
Product Description
Catalog Number:
AG000UOY
Chemical Name:
D-Aspartic acid, N-[(1,1-dimethylethoxy)carbonyl]-, 1,4-dimethyl ester
CAS Number:
130622-08-1
Molecular Formula:
C11H19NO6
Molecular Weight:
261.2717
MDL Number:
MFCD11975834
IUPAC Name:
dimethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioate
InChI:
InChI=1S/C11H19NO6/c1-11(2,3)18-10(15)12-7(9(14)17-5)6-8(13)16-4/h7H,6H2,1-5H3,(H,12,15)/t7-/m1/s1
InChI Key:
DFXUYFITVOWQNH-SSDOTTSWSA-N
SMILES:
COC(=O)C[C@H](C(=O)OC)NC(=O)OC(C)(C)C
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
261.121g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
261.274g/mol
Monoisotopic Mass:
261.121g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
90.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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