chempirical

Phenolphthalein monophosphate bis(cyclohexylammonium) salt

C26H28NO7PCAS 14815-59-9497.48 g/mol

Open in Covalent MOL file
H2NOOOHOPOOHOH
EsterLactonePhenolPhosphatePrimary amine

Properties

Molecular formula
C26H28NO7P
Molar mass
497.48 g/mol
Exact mass
497.1603 Da
logP
4.60Crippen estimate
Polar surface area
139.3 Ų
H-bond donors / acceptors
4 / 6
Rotatable bonds
4

Identifiers

CAS number
14815-59-9
SMILES
NC1CCCCC1.O=C1OC(c2ccc(O)cc2)(c2ccc(OP(=O)(O)O)cc2)c2ccccc21
InChIKey
STNSWFKTHDXJJO-UHFFFAOYSA-N
InChI
InChI=1S/C20H15O7P.C6H13N/c21-15-9-5-13(6-10-15)20(18-4-2-1-3-17(18)19(22)26-20)14-7-11-16(12-8-14)27-28(23,24)25;7-6-4-2-1-3-5-6/h1-12,21H,(H2,23,24,25);6H,1-5,7H2

Weigh it out

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

Names and synonyms

3 names
  • 1(3H)-Isobenzofuranone, 3-(4-hydroxyphenyl)-3-[4-(phosphonooxy)phenyl]-, compd. with cyclohexanamine (1:2)
  • Phenolphthalein, mono(dihydrogen phosphate), compd. with cyclohexylamine (1:2)
  • Cyclohexylamine, compd. with phenolphthalein mono(dihydrogen phosphate) (2:1)

Work with Phenolphthalein monophosphate bis(cyclohexylammonium) salt

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

Phenolphthalein diphosphate2090-82-670 % similar Phenolphthalein77-09-857 % similar 1(3H)-Isobenzofuranone, 3,3-bis[4-(phosphonooxy)phenyl]-, sodium salt (1:4)68807-90-948 % similar Phosphoric acid, mono(4-nitrophenyl) ester, compd. with cyclohexanamine (1:2)52483-84-845 % similar Fluorescein2321-07-541 % similar O-Cresolphthalein596-27-040 % similar Tetrabromophenolphthalein76-62-039 % similar Phospho-L-tyrosine21820-51-937 % similar

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

Elsewhere

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