Home Other Building Blocks Sodium 5'-Inosinate hydrate(2:1:7)

Sodium 5'-Inosinate hydrate(2:1:7)

CAS No.:
849725-39-9
Catalog Number:
AG01EN0N
Molecular Formula:
C10H25N4Na2O15P
Molecular Weight:
518.2766
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Product Description
Catalog Number:
AG01EN0N
Chemical Name:
Sodium 5'-Inosinate hydrate(2:1:7)
CAS Number:
849725-39-9
Molecular Formula:
C10H25N4Na2O15P
Molecular Weight:
518.2766
MDL Number:
MFCD22418074
IUPAC Name:
disodium;[3,4-dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl phosphate;heptahydrate
InChI:
InChI=1S/C10H13N4O8P.2Na.7H2O/c15-6-4(1-21-23(18,19)20)22-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17;;;;;;;;;/h2-4,6-7,10,15-16H,1H2,(H,11,12,17)(H2,18,19,20);;;7*1H2/q;2*+1;;;;;;;/p-2
InChI Key:
ZEALAQXNWUYYQU-UHFFFAOYSA-L
SMILES:
O[C@@H]1[C@H](O)[C@H](O[C@H]1n1cnc2c1ncnc2O)COP(=O)([O-])[O-].[Na+].[Na+].O.O.O.O.O.O.O
Properties
Complexity:
544  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
10  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
518.085g/mol
Formal Charge:
0
Heavy Atom Count:
32  
Hydrogen Bond Acceptor Count:
17  
Hydrogen Bond Donor Count:
10  
Isotope Atom Count:
0
Molecular Weight:
518.276g/mol
Monoisotopic Mass:
518.085g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
188A^2
Undefined Atom Stereocenter Count:
4  
Undefined Bond Stereocenter Count:
0
Properties