Cytidine-5'-triphosphate disodium salt

C9H14N3Na2O14P3CAS 123334-07-6527.12 g/mol

Open in Covalent MOL file
NONH2NOOPOHOOPOO−OPOOHO−OHHONa+Na+
AlcoholEtherPhosphatePrimary amine

Properties

Molecular formula
C9H14N3Na2O14P3
Molar mass
527.12 g/mol
Exact mass
526.9484 Da
logP
-9.47Crippen estimate
Polar surface area
276.1 Ų
H-bond donors / acceptors
5 / 14
Rotatable bonds
8
Stereocentres
R, 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
123334-07-6
SMILES
C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)([O-])OP(=O)(O)[O-])O)O.[Na+].[Na+]
InChIKey
NFQMDTRPCFJJND-WFIJOQBCSA-L
InChI
InChI=1S/C9H16N3O14P3.2Na/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18;;/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H2,10,11,15)(H2,16,17,18);;/q;2*+1/p-2/t4-,6-,7-,8-;;/m1../s1

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Names and synonyms

1 names
  • Cytidine triphosphate disodium

Work with Cytidine-5'-triphosphate 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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Cytidine triphosphate disodium dihydrate81012-87-5Salt Cytidine 5'-triphosphate sodium salt93688-66-5Salt, stereo not defined

Similar compounds

Cytidine-5'-diphosphate disodium salt54394-90-088 % similar Uridine-5′-triphosphate trisodium salt19817-92-671 % similar Uridine-5′-diphosphate disodium salt27821-45-070 % similar 2'-Deoxycytidine-5'-triphosphate trisodium salt109909-44-664 % similar Uridine 5'-triphosphate disodium salt285978-18-960 % similar Diquafosol59985-21-659 % similar Uridine diphosphate58-98-057 % similar Uridine triphosphate63-39-855 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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