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71997-40-5 | Adenosine 5'-triphosphate, periodate oxidized sodium salt
CAS No: 71997-40-5 Catalog No: AG005O88 MDL No:
Product Description
Catalog Number:
AG005O88
Chemical Name:
Adenosine 5'-triphosphate, periodate oxidized sodium salt
CAS Number:
71997-40-5
Molecular Formula:
C10H14N5NaO13P3
Molecular Weight:
528.1549
IUPAC Name:
[[2-[1-(6-aminopurin-9-yl)-2-oxoethoxy]-3-oxopropoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;sodium
InChI:
InChI=1S/C10H14N5O13P3.Na/c11-9-8-10(13-4-12-9)15(5-14-8)7(2-17)26-6(1-16)3-25-30(21,22)28-31(23,24)27-29(18,19)20;/h1-2,4-7H,3H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20);
InChI Key:
KOCWSVPHHGJWHA-UHFFFAOYSA-N
SMILES:
O=CC(OC(n1cnc2c1ncnc2N)C=O)COP(=O)(OP(=O)(OP(=O)(O)O)O)O.[Na]
Properties
Complexity:
796
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
527.97g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
17
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
528.155g/mol
Monoisotopic Mass:
527.97g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
273A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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