Inosine 5′-diphosphate disodium salt

C₁₀H₁₂N₄Na₂O₁₁P₂CAS 54735-61-4472.15 g/mol

Open in Covalent MOL file

Alcohol Ether Phenol Phosphate

Properties

Molecular formula: C₁₀H₁₂N₄Na₂O₁₁P₂
Molar mass: 472.15 g/mol
Exact mass: 471.9773 Da
logP: -2.38Crippen estimate
Polar surface area: 226.8 Å²
H-bond donors / acceptors: 6 / 11
Rotatable bonds: 6
Stereocentres: R, R, R, Sin SMILES atom order

Identifiers

CAS number

54735-61-4

SMILES

[O-]P([O-])(=O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(O)ncnc23)[C@H](O)[C@@H]1O.[Na+].[Na+]

InChIKey

AALHFOXELNEVHJ-IDIVVRGQSA-N

InChI

InChI=1S/C10H14N4O11P2.2Na/c15-6-4(1-23-27(21,22)25-26(18,19)20)24-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17;;/h2-4,6-7,10,15-16H,1H2,(H,21,22)(H,11,12,17)(H2,18,19,20);;/t4-,6-,7-,10-;;/m1../s1

Weigh it out

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

Names and synonyms

3 names

Inosine 5′-(trihydrogen diphosphate), sodium salt (1:2)
Inosine 5′-(trihydrogen diphosphate), disodium salt
IDP disodium salt

Work with Inosine 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

Disodium inosinate4691-65-082 % similar Inosinic acid131-99-768 % similar Polyinosinic acid30918-54-868 % similar Inosine 5′-(tetrahydrogen triphosphate), 2′-deoxy-, trisodium salt95648-77-467 % similar Trisodium adenosine 5′-diphosphate2092-65-166 % similar Adenosine 5′-monophosphate disodium4578-31-866 % similar 5′-Xanthylic acid, sodium salt (1:2)25899-70-164 % similar Adenosine diphosphate58-64-062 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook