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14999-52-1

14999-52-1 | 5'-Inosinic acid, 2'-deoxy-, sodium salt (1:2)

CAS No: 14999-52-1 Catalog No: AG001M6V MDL No:MFCD00134874

Product Description

Catalog Number:
AG001M6V
Chemical Name:
5'-Inosinic acid, 2'-deoxy-, sodium salt (1:2)
CAS Number:
14999-52-1
Molecular Formula:
C10H11N4Na2O7P
Molecular Weight:
376.1702
MDL Number:
MFCD00134874
IUPAC Name:
disodium;[(2R,3S,5R)-3-hydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl phosphate
InChI:
InChI=1S/C10H13N4O7P.2Na/c15-5-1-7(21-6(5)2-20-22(17,18)19)14-4-13-8-9(14)11-3-12-10(8)16;;/h3-7,15H,1-2H2,(H,11,12,16)(H2,17,18,19);;/q;2*+1/p-2/t5-,6+,7+;;/m0../s1
InChI Key:
VDPLPYMIJCLJEF-OJSHLMAWSA-L
SMILES:
O[C@H]1C[C@@H](O[C@@H]1COP(=O)([O-])[O-])n1cnc2c1ncnc2O.[Na+].[Na+]
EC Number:
239-090-3

Properties

Complexity:
514  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
0
Exact Mass:
376.016g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
376.172g/mol
Monoisotopic Mass:
376.016g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
161A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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