Cytidine-5'-diphosphate disodium salt

C₉H₁₃N₃Na₂O₁₁P₂CAS 54394-90-0447.14 g/mol

Open in Covalent MOL file

Alcohol Ether Phosphate Primary amine

Properties

Molecular formula: C₉H₁₃N₃Na₂O₁₁P₂
Molar mass: 447.14 g/mol
Exact mass: 446.9821 Da
logP: -9.59Crippen estimate
Polar surface area: 229.5 Å²
H-bond donors / acceptors: 4 / 12
Rotatable bonds: 6
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. Search the SDS library

Identifiers

CAS number

54394-90-0

SMILES

C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)(O)[O-])O)O.[Na+].[Na+]

InChIKey

ZGDYAAWYYNVXEB-WFIJOQBCSA-L

InChI

InChI=1S/C9H15N3O11P2.2Na/c10-5-1-2-12(9(15)11-5)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)(H2,10,11,15)(H2,16,17,18);;/q;2*+1/p-2/t4-,6-,7-,8-;;/m1../s1

Weigh it out

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

Names and synonyms

1 names

Disodium cytidine 5'-diphosphate

Work with Cytidine-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

Cytidine-5'-triphosphate disodium salt123334-07-688 % similar Uridine-5′-diphosphate disodium salt27821-45-080 % similar Cytidine 5'-triphosphate sodium salt93688-66-579 % similar Uridine-5′-triphosphate trisodium salt19817-92-678 % similar Cytidine triphosphate disodium dihydrate81012-87-575 % similar 2'-Deoxycytidine-5'-triphosphate trisodium salt109909-44-670 % similar Uridine 5'-triphosphate disodium salt285978-18-961 % similar Adenosine-5′-diphosphate disodium salt16178-48-661 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook