chempirical

2-Amino-5-hydroxy-1,7-naphthalenedisulfonic acid

C10H9NO7S2CAS 6535-70-2319.30 g/mol

Open in Covalent MOL file
H2NOHSOOHOSOOHO
PhenolPrimary amineSulfonic acid

Properties

Molecular formula
C10H9NO7S2
Molar mass
319.30 g/mol
Exact mass
318.9820 Da
logP
0.62Crippen estimate
Polar surface area
155.0 Ų
H-bond donors / acceptors
4 / 6
Rotatable bonds
2

Identifiers

CAS number
6535-70-2
SMILES
Nc1ccc2c(O)cc(S(=O)(=O)O)cc2c1S(=O)(=O)O
InChIKey
HIVUAOXLSJITPA-UHFFFAOYSA-N
InChI
InChI=1S/C10H9NO7S2/c11-8-2-1-6-7(10(8)20(16,17)18)3-5(4-9(6)12)19(13,14)15/h1-4,12H,11H2,(H,13,14,15)(H,16,17,18)

Weigh it out

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

Names and synonyms

10 names
  • 1,7-Naphthalenedisulfonic acid, 2-amino-5-hydroxy-
  • 1-Naphthol-3,5-disulfonic acid, 6-amino-
  • 6-Amino-1-hydroxy-3,5-naphthalenedisulfonic acid
  • 6-Amino-1-naphthol-3,5-disulfonic acid
  • 2-Amino-5-naphthol-1,7-disulfonic acid
  • 7-Amino-4-hydroxynaphthalene-2,8-disulfonic acid
  • 3-Amino-4,6-disulfo-8-hydroxynaphthalene
  • 3-Amino-8-hydroxy-4,6-disulfonaphthalene
  • 3-Amino-8-naphthol-4,6-disulfonic acid
  • 8-Hydroxy-4,6-disulfo-3-aminonaphthalene

Work with 2-Amino-5-hydroxy-1,7-naphthalenedisulfonic 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

5-Amino-1-hydroxy-3-naphthalenesulfonic acid489-78-168 % similar 7-Amino-4-hydroxy-2-naphthalenesulfonic acid87-02-556 % similar 1-Naphthol-3,6-disulfonic acid578-85-855 % similar 3-Amino-4-hydroxybenzenesulfonic acid98-37-353 % similar 5,6-Diamino-1,3-naphthalenedisulfonic acid73692-57-652 % similar Gamma acid90-51-752 % similar 2-Amino-1,5-naphthalenedisulfonic acid117-62-451 % similar Tobias acid81-16-350 % similar

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

Same formula

4-Amino-5-hydroxy-1,7-naphthalenedisulfonic acid130-23-4 H Acid90-20-0

Elsewhere

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