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Home > Other Building Blocks > 146877-92-1
146877-92-1 | 5'-Adenylic acid, sodium salt, hydrate (1:2:?)
CAS No: 146877-92-1 Catalog No: AG001EEJ MDL No:
Product Description
Catalog Number:
AG001EEJ
Chemical Name:
5'-Adenylic acid, sodium salt, hydrate (1:2:?)
CAS Number:
146877-92-1
Molecular Formula:
C10H14N5Na2O8P
Molecular Weight:
409.2002
IUPAC Name:
disodium;[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate;hydrate
InChI:
InChI=1S/C10H14N5O7P.2Na.H2O/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20;;;/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20);;;1H2/q;2*+1;/p-2
InChI Key:
HDDUZEKWRALMDG-UHFFFAOYSA-L
SMILES:
O[C@@H]1[C@H](O)[C@H](O[C@H]1n1cnc2c1ncnc2N)COP(=O)([O-])[O-].O.[Na+].[Na+]
Properties
Complexity:
469
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
409.038g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
409.202g/mol
Monoisotopic Mass:
409.038g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
193A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
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