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PHOSPHOCREATINE DI-TRIS SALT

CAS No.:
108321-17-1
Catalog Number:
AG008XF4
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG008XF4
Chemical Name:
PHOSPHOCREATINE DI-TRIS SALT
CAS Number:
108321-17-1
MDL Number:
MFCD00069590
IUPAC Name:
2-amino-2-(hydroxymethyl)propane-1,3-diol;2-[methyl-[(E)-N'-phosphonocarbamimidoyl]amino]acetic acid
InChI:
InChI=1S/C4H10N3O5P.2C4H11NO3/c1-7(2-3(8)9)4(5)6-13(10,11)12;2*5-4(1-6,2-7)3-8/h2H2,1H3,(H,8,9)(H4,5,6,10,11,12);2*6-8H,1-3,5H2
InChI Key:
UPPBKCOGWJTQMJ-UHFFFAOYSA-N
Properties
Complexity:
325  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
453.184g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
14  
Hydrogen Bond Donor Count:
12  
Isotope Atom Count:
0
Molecular Weight:
453.386g/mol
Monoisotopic Mass:
453.184g/mol
Rotatable Bond Count:
10  
Topological Polar Surface Area:
310A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties