Sodium 4,5-dihydroxy-3,6-bis[2-(2-sulfophenyl)diazenyl]-2,7-naphthalenedisulfonate (4:1)

C₂₂H₁₂N₄Na₄O₁₄S₄CAS 68504-35-8776.55 g/mol

Open in Covalent MOL file

Azo Phenol Sulfonic acid

Properties

Molecular formula: C₂₂H₁₂N₄Na₄O₁₄S₄
Molar mass: 776.55 g/mol
Exact mass: 775.8824 Da
logP: 2.55Crippen estimate
Polar surface area: 307.4 Å²
H-bond donors / acceptors: 6 / 14
Rotatable bonds: 8

Identifiers

CAS number

68504-35-8

SMILES

[O-]S(=O)(=O)c1ccccc1N=Nc1c(O)c2c(O)c(N=Nc3ccccc3S([O-])(=O)=O)c(S([O-])(=O)=O)cc2cc1S([O-])(=O)=O.[Na+].[Na+].[Na+].[Na+]

InChIKey

ICEUYUOXSNZQAP-UHFFFAOYSA-N

InChI

InChI=1S/C22H16N4O14S4.4Na/c27-21-18-11(9-16(43(35,36)37)19(21)25-23-12-5-1-3-7-14(12)41(29,30)31)10-17(44(38,39)40)20(22(18)28)26-24-13-6-2-4-8-15(13)42(32,33)34;;;;/h1-10,27-28H,(H,29,30,31)(H,32,33,34)(H,35,36,37)(H,38,39,40);;;;

Weigh it out

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

Names and synonyms

2 names

2,7-Naphthalenedisulfonic acid, 4,5-dihydroxy-3,6-bis[2-(2-sulfophenyl)diazenyl]-, sodium salt (1:4)
2,7-Naphthalenedisulfonic acid, 4,5-dihydroxy-3,6-bis[(2-sulfophenyl)azo]-, tetrasodium salt

Work with Sodium 4,5-dihydroxy-3,6-bis[2-(2-sulfophenyl)diazenyl]-2,7-naphthalenedisulfonate (4:1)

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

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

Elsewhere

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