chempirical

1-Naphthyl disodium orthophosphate

C10H7Na2O4PCAS 2183-17-7268.12 g/mol

Open in Covalent MOL file
O−PO−OONa+Na+
Phosphate

Properties

Molecular formula
C10H7Na2O4P
Molar mass
268.12 g/mol
Exact mass
267.9877 Da
logP
1.55Crippen estimate
Polar surface area
66.8 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2

Identifiers

CAS number
2183-17-7
SMILES
[O-]P([O-])(=O)Oc1cccc2ccccc12.[Na+].[Na+]
InChIKey
UFNLNVICEPKESW-UHFFFAOYSA-N
InChI
InChI=1S/C10H9O4P.2Na/c11-15(12,13)14-10-7-3-5-8-4-1-2-6-9(8)10;;/h1-7H,(H2,11,12,13);;

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Names and synonyms

4 names
  • 1-Naphthalenol, 1-(dihydrogen phosphate), sodium salt (1:2)
  • 1-Naphthol, dihydrogen phosphate disodium salt
  • 1-Naphthalenol, dihydrogen phosphate, disodium salt
  • 1-Naphthyl sodium phosphate ((C10H7O)(NaO)2PO)

Work with 1-Naphthyl disodium orthophosphate

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

Disodium phenyl phosphate3279-54-756 % similar 1-Naphthyl phosphate1136-89-656 % similar 1-Methoxynaphthalene2216-69-543 % similar Tetrasodium pyrophosphate7722-88-542 % similar Sodium 2-naphthalenyl phosphate (1:1)14463-68-442 % similar Sodium 1-naphthalenesulfonate130-14-341 % similar 5-Bromo-4-chloro-3-indolyl phosphate disodium salt102185-33-140 % similar 1-Naphthyl acetate830-81-940 % similar

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

Elsewhere

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