chempirical

5-Sodiosulfoisophthalic acid

C8H5NaO7SCAS 6362-79-4268.17 g/mol

Open in Covalent MOL file
O−OOOHSOOOHNa+
Carboxylic acidSulfonic acid

Properties

Molecular formula
C8H5NaO7S
Molar mass
268.17 g/mol
Exact mass
267.9654 Da
logP
-0.05Crippen estimate
Polar surface area
129.0 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
3

Identifiers

CAS number
6362-79-4
SMILES
[O-]C(=O)c1cc(C(=O)O)cc(S(=O)(=O)O)c1.[Na+]
InChIKey
QOOLLUNRNXQIQF-UHFFFAOYSA-N
InChI
InChI=1S/C8H6O7S.Na/c9-7(10)4-1-5(8(11)12)3-6(2-4)16(13,14)15;/h1-3H,(H,9,10)(H,11,12)(H,13,14,15);

Weigh it out

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

Names and synonyms

17 names · show all
  • 1,3-Benzenedicarboxylic acid, 5-sulfo-, sodium salt (1:1)
  • Isophthalic acid, 5-sulfo-, monosodium salt
  • 1,3-Benzenedicarboxylic acid, 5-sulfo-, monosodium salt
  • Isophthalic acid, 5-sulfo-, 5-sodium salt
  • Sodium 3,5-dicarboxybenzenesulfonate
  • Monosodium 1,3-dicarboxybenzene-5-sulfonate
  • Sodium 5-sulfoisophthalic acid
  • Monosodium 5-sulfoisophthalate
  • 5-Sulfoisophthalic acid monosodium salt
  • Sodium 5-sulfoisophthalate
  • Delion HS
  • Sodium 3,5-dicarboxybenzene-1-sulfonate
  • Sulfoisophthalic acid sodium salt
  • Monosodium 5-sulfatoisophthalate
  • 5-Sulfo-1,3-benzenedicarboxylic acid sodium salt
  • Sodium 5-sulfonatoisophthalate
  • Monosodium 5-sulfoisophthalic acid

Work with 5-Sodiosulfoisophthalic acid

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

Sulfoisophthalic acid22326-31-471 % similar Sodium m-sulfobenzoate17625-03-562 % similar Potassium 4-carboxybenzenesulfonate5399-63-349 % similar 4-Sulfophthalic acid89-08-743 % similar Trimesic acid554-95-043 % similar 3-Amino-2-hydroxy-5-sulfobenzoic acid6201-86-141 % similar 5-Sulfosalicylic acid97-05-240 % similar 2-Amino-4-sulfobenzoic acid98-43-140 % similar

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

Same formula

5-Sulfoisophthalic acid sodium salt7800-91-1

Elsewhere

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