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102029-95-8 | 5'-Adenylic acid, anhydride with sulfuric acid, sodium salt (1:1:2)
CAS No: 102029-95-8 Catalog No: AG0006EN MDL No:
Product Description
Catalog Number:
AG0006EN
Chemical Name:
5'-Adenylic acid, anhydride with sulfuric acid, sodium salt (1:1:2)
CAS Number:
102029-95-8
Molecular Formula:
C10H14N5NaO10PS
Molecular Weight:
450.2742
IUPAC Name:
[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl sulfo hydrogen phosphate;sodium
InChI:
InChI=1S/C10H14N5O10PS.Na/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-26(18,19)25-27(20,21)22;/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H2,11,12,13)(H,20,21,22);
InChI Key:
KVGKFGUVHSIJFZ-UHFFFAOYSA-N
SMILES:
OC1C(COP(=O)(OS(=O)(=O)O)O)OC(C1O)n1cnc2c1ncnc2N.[Na]
Properties
Complexity:
692
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
450.01g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
14
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
450.271g/mol
Monoisotopic Mass:
450.01g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
238A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
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