chempirical

Pyranine

C16H7Na3O10S3CAS 6358-69-6524.37 g/mol

Open in Covalent MOL file
O−SOOHOSO−OOSO−OONa+Na+Na+
PhenolSulfonic acid

Properties

Molecular formula
C16H7Na3O10S3
Molar mass
524.37 g/mol
Exact mass
523.8894 Da
logP
0.89Crippen estimate
Polar surface area
183.3 Ų
H-bond donors / acceptors
4 / 7
Rotatable bonds
3

Identifiers

CAS number
6358-69-6
SMILES
[O-]S(=O)(=O)c1cc(O)c2ccc3c(S([O-])(=O)=O)cc(S([O-])(=O)=O)c4ccc1c2c34.[Na+].[Na+].[Na+]
InChIKey
JSJHCJAVSDQFLO-UHFFFAOYSA-N
InChI
InChI=1S/C16H10O10S3.3Na/c17-11-5-12(27(18,19)20)8-3-4-10-14(29(24,25)26)6-13(28(21,22)23)9-2-1-7(11)15(8)16(9)10;;;/h1-6,17H,(H,18,19,20)(H,21,22,23)(H,24,25,26);;;

Weigh it out

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

Names and synonyms

27 names · show all
  • 1,3,6-Pyrenetrisulfonic acid, 8-hydroxy-, sodium salt (1:3)
  • 1,3,6-Pyrenetrisulfonic acid, 8-hydroxy-, trisodium salt
  • 11389 Green
  • C.I. 59040
  • D&C Green 8
  • D&C Green no. 8
  • C.I. Solvent green 7
  • D And C green no. 8
  • Trisodium 1-hydroxy-3,6,8-pyrenetrisulfonate
  • Solvent green 7
  • Green no. 204
  • Pyranine concentrated
  • 8-Hydroxy-1,3,6-pyrenetrisulfonic acid trisodium salt
  • Pyrene 1
  • Japan green 204
  • Japan green no. 204
  • Trisodium 8-hydroxypyrene-1,3,6-trisulfonate
  • Green 204
  • Pyranine 120
  • HPTS
  • Pyranine conk
  • Yellow pyracide G
  • Keyacid pyranine 10G
  • Pyranine 10G
  • Sanolin pyranine green
  • Fluka 56360
  • Puricolor green SGR 7

Work with Pyranine

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

Tetrasodium 1,3,6,8-pyrenetetrasulfonate59572-10-077 % similar Sodium O-phenolsulfonate1300-51-253 % similar 2,7-Dihydroxy-3,6-naphthalenesulfonate disodium salt7153-21-153 % similar 4-Hydroxy-2,7-naphthalenedisulfonic acid disodium salt20349-39-753 % similar Sodium 5-hydroxy-1-naphthalenesulfonate5419-77-251 % similar Sodium 1-naphthol-4-sulfonate6099-57-651 % similar 8-Amino-1-naphthol-5,7-disulfonic acid monosodium salt52789-62-550 % similar 1-Naphthalenediazonium, 2-hydroxy-4-sulfo-, inner salt887-76-349 % similar

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

Elsewhere

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