chempirical

Erythrosine sodium

C20H6I4Na2O5CAS 568-63-8879.86 g/mol

Open in Covalent MOL file
O−OIOIOIO−INa+Na+
Aryl halideCarboxylic acidPhenol

Properties

Molecular formula
C20H6I4Na2O5
Molar mass
879.86 g/mol
Exact mass
879.6189 Da
logP
5.63Crippen estimate
Polar surface area
87.7 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
2

Identifiers

CAS number
568-63-8
SMILES
[O-]C(=O)c1ccccc1-c1c-2cc(I)c(=O)c(I)c2oc2c(I)c([O-])c(I)cc12.[Na+].[Na+]
InChIKey
HSVVEYNANGCLTI-UHFFFAOYSA-N
InChI
InChI=1S/C20H8I4O5.2Na/c21-11-5-9-13(7-3-1-2-4-8(7)20(27)28)10-6-12(22)17(26)15(24)19(10)29-18(9)14(23)16(11)25;;/h1-6,25H,(H,27,28);;

Weigh it out

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

Names and synonyms

3 names
  • Benzoic acid, 2-(6-hydroxy-2,4,5,7-tetraiodo-3-oxo-3H-xanthen-9-yl)-, sodium salt (1:2)
  • Fluorescein, 2′,4′,5′,7′-tetraiodo-, disodium salt
  • Benzoic acid, 2-(6-hydroxy-2,4,5,7-tetraiodo-3-oxo-3H-xanthen-9-yl)-, disodium salt

Work with Erythrosine sodium

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

Rose bengal11121-48-561 % similar Rhodamine 11013558-31-133 % similar Sodium salicylate54-21-732 % similar Rhodamine B81-88-930 % similar Sodium 3-hydroxy-2-naphthoate14206-62-330 % similar Sodium o-fluorobenzoate490-97-130 % similar

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

Same formula

Erythrosine16423-68-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook