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21020-81-5 | L-Aspartic acid, N-[[(4-amino-4-carboxybutyl)amino]iminomethyl]-, barium salt (1:1) (9CI)
CAS No: 21020-81-5 Catalog No: AG002KNF MDL No:
Product Description
Catalog Number:
AG002KNF
Chemical Name:
L-Aspartic acid, N-[[(4-amino-4-carboxybutyl)amino]iminomethyl]-, barium salt (1:1) (9CI)
CAS Number:
21020-81-5
IUPAC Name:
2-[[(1S)-1-carboxy-4-(diaminomethylideneamino)butyl]amino]butanedioic acid
InChI:
InChI=1S/C10H18N4O6/c11-10(12)13-3-1-2-5(8(17)18)14-6(9(19)20)4-7(15)16/h5-6,14H,1-4H2,(H,15,16)(H,17,18)(H,19,20)(H4,11,12,13)/t5-,6?/m0/s1
InChI Key:
ZAJYCVKCRQCISF-ZBHICJROSA-N
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
290.123g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
290.276g/mol
Monoisotopic Mass:
290.123g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
188A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-4.6
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