chempirical

Hexaethyl tetraphosphate

C12H30O13P4CAS 757-58-4506.25 g/mol

Open in Covalent MOL file
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Phosphate

Properties

Molecular formula
C12H30O13P4
Molar mass
506.25 g/mol
Exact mass
506.0637 Da
Density
1.2917 g/mL (at 27 °C)
Melting point
−40 °C
logP
5.69Crippen estimate
Polar surface area
151.3 Ų
H-bond donors / acceptors
0 / 13
Rotatable bonds
18

Identifiers

CAS number
757-58-4
SMILES
CCOP(=O)(OCC)OP(=O)(OCC)OP(=O)(OCC)OP(=O)(OCC)OCC
InChIKey
DAJYZXUXDOSMCG-UHFFFAOYSA-N
InChI
InChI=1S/C12H30O13P4/c1-7-17-26(13,18-8-2)23-28(15,21-11-5)25-29(16,22-12-6)24-27(14,19-9-3)20-10-4/h7-12H2,1-6H3

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Names and synonyms

4 names
  • Tetraphosphoric acid, hexaethyl ester
  • Ethyl tetraphosphate
  • HET
  • Bladan

Work with Hexaethyl tetraphosphate

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

Tetraethyl pyrophosphate107-49-394 % similar Triethyl phosphate78-40-074 % similar Tetraethyl methylenediphosphonate1660-94-246 % similar Diethyl methylphosphonate683-08-946 % similar Tetraethyl ethylenediphosphonate995-32-446 % similar Ethyl phosphorodichloridate1498-51-744 % similar Diethyl ethylphosphonate78-38-644 % similar Diethyl phosphorochloridate814-49-344 % similar

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

Elsewhere

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