Cytidine-5'-triphosphate disodium salt

C₉H₁₄N₃Na₂O₁₄P₃CAS 123334-07-6527.12 g/mol

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Alcohol Ether Phosphate Primary 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 Å²
H-bond donors / acceptors: 5 / 14
Rotatable bonds: 8
Stereocentres: R, R, S, Rin SMILES atom order

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

Similar compounds

1-(2-Deoxy-2-fluoro-β-D-arabinofuranosyl)-2,4(1H,3H)-pyrimidinedione69123-94-032 % similar 1-β-D-Arabinofuranosyl-5-methyl-2,4(1H,3H)-pyrimidinedione605-23-231 % similar

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

Elsewhere

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