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Home > Imidazoles > 99979-59-6
99979-59-6 | 3-(1h-imidazol-5-yl)-2-oxopropyl dihydrogen phosphate
CAS No: 99979-59-6 Catalog No: AG003VI9 MDL No:
Product Description
Catalog Number:
AG003VI9
Chemical Name:
3-(1h-imidazol-5-yl)-2-oxopropyl dihydrogen phosphate
CAS Number:
99979-59-6
Molecular Formula:
C6H9N2O5P
Molecular Weight:
220.1198
IUPAC Name:
[3-(1H-imidazol-5-yl)-2-oxopropyl] dihydrogen phosphate
InChI:
InChI=1S/C6H9N2O5P/c9-6(3-13-14(10,11)12)1-5-2-7-4-8-5/h2,4H,1,3H2,(H,7,8)(H2,10,11,12)
InChI Key:
YCFFMSOLUMRAMD-UHFFFAOYSA-N
SMILES:
O=C(Cc1cnc[nH]1)COP(=O)(O)O
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.025g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
220.121g/mol
Monoisotopic Mass:
220.025g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2
Literature
| Title | Journal |
|---|---|
| Structural studies of the catalytic reaction pathway of a hyperthermophilic histidinol-phosphate aminotransferase. | The Journal of biological chemistry 20040514 |
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