1-Naphthyl phosphate monosodium salt monohydrate

C₁₀H₁₀NaO₅PCAS 81012-89-7264.15 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₁₀NaO₅P
Molar mass: 264.15 g/mol
Exact mass: 264.0164 Da
logP: -2.14Crippen estimate
Polar surface area: 101.1 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

81012-89-7

SMILES

C1=CC=C2C(=C1)C=CC=C2OP(=O)(O)[O-].O.[Na+]

InChIKey

NSWUDGODQXQNON-UHFFFAOYSA-M

InChI

InChI=1S/C10H9O4P.Na.H2O/c11-15(12,13)14-10-7-3-5-8-4-1-2-6-9(8)10;;/h1-7H,(H2,11,12,13);;1H2/q;+1;/p-1

Weigh it out

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

Work with 1-Naphthyl phosphate monosodium salt monohydrate

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Alpha-naphthyl acid phosphate monosodium salt14455-30-2Anhydrous 1-Naphthyl phosphate1136-89-6Free acid 1-Naphthyl disodium orthophosphate2183-17-7Salt Sodium naphthalen-1-yl phosphate hydrate207569-06-0Salt

Similar compounds

Sodium 2-naphthalenyl phosphate (1:1)14463-68-460 % similar (±)-1,1′-Binaphthyl-2,2′-diyl hydrogen phosphate35193-63-639 % similar (+)-1,1′-Binaphthyl-2,2′-diyl hydrogen phosphate35193-64-739 % similar (-)-1,1′-Binaphthyl-2,2′-diyl hydrogen phosphate39648-67-439 % similar 1-Methoxynaphthalene2216-69-537 % similar Sodium 1-naphthalenesulfonate130-14-336 % similar Naphthoxyacetic acid2976-75-235 % similar Sodium α-naphthaleneacetate61-31-435 % similar

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

Elsewhere

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