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13085-50-2 | 5'-Cytidylic acid, 2'-deoxy-, sodium salt (1:2)
CAS No: 13085-50-2 Catalog No: AG000V09 MDL No:MFCD00069774
Product Description
Catalog Number:
AG000V09
Chemical Name:
5'-Cytidylic acid, 2'-deoxy-, sodium salt (1:2)
CAS Number:
13085-50-2
Molecular Formula:
C9H12N3Na2O7P
Molecular Weight:
351.1608
MDL Number:
MFCD00069774
IUPAC Name:
disodium;[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl phosphate
InChI:
InChI=1S/C9H14N3O7P.2Na/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(19-8)4-18-20(15,16)17;;/h1-2,5-6,8,13H,3-4H2,(H2,10,11,14)(H2,15,16,17);;/q;2*+1/p-2/t5-,6+,8+;;/m0../s1
InChI Key:
IJFRULGDDRUYQN-CDNBRZBRSA-L
SMILES:
O[C@H]1C[C@@H](O[C@@H]1COP(=O)([O-])[O-])n1ccc(nc1=O)N.[Na+].[Na+]
EC Number:
235-995-2
Properties
Complexity:
490
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
351.021g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
351.162g/mol
Monoisotopic Mass:
351.021g/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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