chempirical

2′-Deoxycytidine 5′-phosphate disodium salt

C9H12N3Na2O7PCAS 13085-50-2351.16 g/mol

Open in Covalent MOL file
HNNOHOPO−O−OOOHNNa+Na+
AlcoholEtherPhenolPhosphate

Properties

Molecular formula
C9H12N3Na2O7P
Molar mass
351.16 g/mol
Exact mass
351.0208 Da
logP
-1.94Crippen estimate
Polar surface area
158.1 Ų
H-bond donors / acceptors
5 / 7
Rotatable bonds
4
Stereocentres
R, S, Rin SMILES atom order

Identifiers

CAS number
13085-50-2
SMILES
N=c1ccn([C@H]2C[C@H](O)[C@@H](COP([O-])([O-])=O)O2)c(O)n1.[Na+].[Na+]
InChIKey
ACIYKIIBZKDNAD-CDNBRZBRSA-N
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);;/t5-,6+,8+;;/m0../s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • 5′-Cytidylic acid, 2′-deoxy-, sodium salt (1:2)
  • Cytidine, 2′-deoxy-, 5′-(dihydrogen phosphate), disodium salt
  • 5′-Cytidylic acid, 2′-deoxy-, disodium salt
  • Cytidine, 2′-deoxy-, 5′-phosphate, disodium salt
  • dCMP disodium salt

Work with 2′-Deoxycytidine 5′-phosphate 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

Cytidine 5′-(trihydrogen diphosphate), 2′-deoxy-, trisodium salt, hydrate151151-32-581 % similar Deoxycytidine monophosphate1032-65-173 % similar Cytidine 5′-(tetrahydrogen triphosphate), 2′-deoxy-, sodium salt (1:2)102783-51-773 % similar Deoxyuridine 5′-monophosphate disodium salt42155-08-869 % similar Disodium 5′-cytidylate6757-06-869 % similar Deoxycytidine951-77-962 % similar Trisodium cytidine 5′-diphosphate34393-59-459 % similar Deoxyguanosine 5′-monophosphate disodium salt33430-61-459 % similar

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

Elsewhere

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