Cytidine 5′-(trihydrogen diphosphate), 2′-deoxy-, trisodium salt, hydrate

C9H14N3Na3O11P2CAS 151151-32-5471.14 g/mol

Open in Covalent MOL file
HNNOHOPO−OOPO−O−OOOHNH2ONa+Na+Na+
AlcoholEtherPhenolPhosphate

Properties

Molecular formula
C9H14N3Na3O11P2
Molar mass
471.14 g/mol
Exact mass
470.9797 Da
logP
-3.02Crippen estimate
Polar surface area
236.2 Ų
H-bond donors / acceptors
6 / 9
Rotatable bonds
6
Stereocentres
R, S, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
151151-32-5
SMILES
N=c1ccn([C@H]2C[C@H](O)[C@@H](COP([O-])(=O)OP([O-])([O-])=O)O2)c(O)n1.O.[Na+].[Na+].[Na+]
InChI

The InChI we hold for this record describes the parent acid and the metal separately rather than the salt above, so it is not shown here.

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Work with Cytidine 5′-(trihydrogen diphosphate), 2′-deoxy-, trisodium salt, hydrate

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

2′-Deoxycytidine 5′-phosphate disodium salt13085-50-281 % similar Cytidine 5′-(tetrahydrogen triphosphate), 2′-deoxy-, sodium salt (1:2)102783-51-777 % similar Trisodium cytidine 5′-diphosphate34393-59-469 % similar 2′-Deoxycytidine-5′-monophosphate1032-65-164 % similar Thymidine 5′-diphosphate trisodium salt95648-78-559 % similar TTP tetrasodium salt3624-46-257 % similar Deoxyuridine 5′-monophosphate disodium salt42155-08-857 % similar Disodium 5′-cytidylate6757-06-857 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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