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3106-18-1 | 5'-Uridylic acid, sodium salt (1:1)
CAS No: 3106-18-1 Catalog No: AG00321M MDL No:
Product Description
Catalog Number:
AG00321M
Chemical Name:
5'-Uridylic acid, sodium salt (1:1)
CAS Number:
3106-18-1
Molecular Formula:
C9H12N2NaO9P
Molecular Weight:
346.1631
IUPAC Name:
sodium;[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate
InChI:
InChI=1S/C9H13N2O9P.Na/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18;/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18);/q;+1/p-1/t4-,6-,7-,8-;/m1./s1
InChI Key:
WHRWYTJLFJEXDD-IAIGYFSYSA-M
SMILES:
O[C@@H]1[C@H](O)[C@H](O[C@H]1n1ccc(=O)[nH]c1=O)COP(=O)(O)[O-].[Na+]
Properties
Complexity:
529
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
346.018g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
346.164g/mol
Monoisotopic Mass:
346.018g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
169A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Structural diversity and plasticity associated with nucleotides targeting orotidine monophosphate decarboxylase. | Journal of medicinal chemistry 20080214 |
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