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81483-81-0 | ATP gammaP-imidazolidate
CAS No: 81483-81-0 Catalog No: AG00GCUO MDL No:
Product Description
Catalog Number:
AG00GCUO
Chemical Name:
ATP gammaP-imidazolidate
CAS Number:
81483-81-0
IUPAC Name:
[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-imidazol-1-ylphosphinic acid
InChI:
InChI=1S/C13H18N7O12P3/c14-11-8-12(17-4-16-11)20(6-18-8)13-10(22)9(21)7(30-13)3-29-34(25,26)32-35(27,28)31-33(23,24)19-2-1-15-5-19/h1-2,4-7,9-10,13,21-22H,3H2,(H,23,24)(H,25,26)(H,27,28)(H2,14,16,17)/t7-,9-,10-,13-/m1/s1
InChI Key:
KMJRKPSVWPKZFD-QYVSTXNMSA-N
Properties
Complexity:
919
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
557.023g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
17
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
557.245g/mol
Monoisotopic Mass:
557.023g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
277A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-5.1
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