chempirical

Uridine-5′-diphosphate disodium salt

C9H12N2Na2O12P2CAS 27821-45-0448.12 g/mol

Open in Covalent MOL file
O−POHOOPO−OOONOHNOOHHONa+Na+
AlcoholEtherPhenolPhosphate

Properties

Molecular formula
C9H12N2Na2O12P2
Molar mass
448.12 g/mol
Exact mass
447.9661 Da
logP
-2.97Crippen estimate
Polar surface area
218.1 Ų
H-bond donors / acceptors
6 / 10
Rotatable bonds
6
Stereocentres
R, R, R, Sin SMILES atom order

Identifiers

CAS number
27821-45-0
SMILES
[O-]P(=O)(O)OP([O-])(=O)OC[C@H]1O[C@@H](n2ccc(O)nc2=O)[C@H](O)[C@@H]1O.[Na+].[Na+]
InChIKey
XQXKBIQDEUFQJC-WFIJOQBCSA-N
InChI
InChI=1S/C9H14N2O12P2.2Na/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18;;/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18);;/t4-,6-,7-,8-;;/m1../s1

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Names and synonyms

4 names
  • Uridine 5′-(trihydrogen diphosphate), sodium salt (1:2)
  • Uridine 5′-(trihydrogen diphosphate), disodium salt
  • UDP disodium salt
  • Uridine-5′-diphosphate disodium

Work with Uridine-5′-diphosphate disodium salt

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Uridine-5′-triphosphate trisodium salt19817-92-697 % similar Disodium ump3387-36-873 % similar Disodium uridine diphosphoglucose28053-08-971 % similar Cytidine-5'-triphosphate disodium salt123334-07-670 % similar Uridine monophosphate58-97-967 % similar Diquafosol59985-21-666 % similar Uridine diphosphate58-98-063 % similar Uridine triphosphate63-39-861 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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