[2,3-dihydroxy-3-(4H-imidazol-4-yl)propyl] dihydrogen phosphate


Chemical Name: [2,3-dihydroxy-3-(4H-imidazol-4-yl)propyl] dihydrogen phosphate
CAS Number: 210241-69-3
Product Number: AG002KNW(AGN-PC-0L67U1)
Synonyms:
MDL No:
Molecular Formula: C6H11N2O6P
Molecular Weight: 238.1351

Identification/Properties


Computed Properties
Molecular Weight:
238.136g/mol
XLogP3:
-3.5
Hydrogen Bond Donor Count:
4
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
5
Exact Mass:
238.035g/mol
Monoisotopic Mass:
238.035g/mol
Topological Polar Surface Area:
132A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
313
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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