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5550-12-9 | 5'-Guanylic acid disodium salt
CAS No: 5550-12-9 Catalog No: AG003QTQ MDL No:MFCD00070575
Product Description
Catalog Number:
AG003QTQ
Chemical Name:
5'-Guanylic acid disodium salt
CAS Number:
5550-12-9
Molecular Formula:
C10H12N5Na2O8P
Molecular Weight:
407.1843
MDL Number:
MFCD00070575
IUPAC Name:
disodium;[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate
InChI:
InChI=1S/C10H14N5O8P.2Na/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21;;/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18);;/q;2*+1/p-2/t3-,5-,6-,9-;;/m1../s1
InChI Key:
PVBRXXAAPNGWGE-LGVAUZIVSA-L
SMILES:
O[C@@H]1[C@H](O)[C@H](O[C@H]1n1cnc2c1nc(N)[nH]c2=O)COP(=O)([O-])[O-].[Na+].[Na+]
UNII:
B768T44Q8V
Properties
Complexity:
586
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
407.022g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
407.186g/mol
Monoisotopic Mass:
407.022g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
207A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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