b-Alanine, N-[(2R)-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl]-, calcium salt(2:1)


Chemical Name: b-Alanine, N-[(2R)-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl]-, calcium salt(2:1)
CAS Number: 137-08-6
Product Number: AG007ZTJ(AGN-PC-0PL6YI)
Synonyms:
MDL No:
Molecular Formula: C18H32CaN2O10
Molecular Weight: 476.5321

Identification/Properties


Computed Properties
Molecular Weight:
476.536g/mol
Hydrogen Bond Donor Count:
6
Hydrogen Bond Acceptor Count:
10
Rotatable Bond Count:
10
Exact Mass:
476.168g/mol
Monoisotopic Mass:
476.168g/mol
Topological Polar Surface Area:
219A^2
Heavy Atom Count:
31
Formal Charge:
0
Complexity:
233
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
2
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
3
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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