(1-hydroxy-2-imidazol-1-yl-1-phosphonoethyl)phosphonic acid;hydrate


Chemical Name: (1-hydroxy-2-imidazol-1-yl-1-phosphonoethyl)phosphonic acid;hydrate
CAS Number: 165800-06-6
Product Number: AG001WDF(AGN-PC-0JLNL0)
Synonyms:
MDL No:
Molecular Formula: C5H12N2O8P2
Molecular Weight: 290.1049

Identification/Properties


Computed Properties
Molecular Weight:
290.105g/mol
Hydrogen Bond Donor Count:
6
Hydrogen Bond Acceptor Count:
9
Rotatable Bond Count:
4
Exact Mass:
290.007g/mol
Monoisotopic Mass:
290.007g/mol
Topological Polar Surface Area:
154A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
327
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
2
Compound Is Canonicalized:
Yes

Safety Information


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

NMR Spectrum


Other Analytical Data


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