Propanephosphonic acid anhydride

C9H21O6P3CAS 68957-94-8318.18 g/mol

Open in Covalent MOL file
POOPOOPOO
Phosphonate

Properties

Molecular formula
C9H21O6P3
Molar mass
318.18 g/mol
Exact mass
318.0551 Da
logP
4.86Crippen estimate
Polar surface area
78.9 Ų
H-bond donors / acceptors
0 / 6
Rotatable bonds
6

Hazards

Danger
Corrosive (GHS05)

Harmonised EU classification (CLP Annex VI, index 607-503-00-X), via PubChem.

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

Identifiers

CAS number
68957-94-8
SMILES
CCCP1(=O)OP(=O)(CCC)OP(=O)(CCC)O1
InChIKey
PAQZWJGSJMLPMG-UHFFFAOYSA-N
InChI
InChI=1S/C9H21O6P3/c1-4-7-16(10)13-17(11,8-5-2)15-18(12,14-16)9-6-3/h4-9H2,1-3H3

Weigh it out

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

Names and synonyms

8 names
  • 1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide
  • Propylphosphonic anhydride
  • n-Propylphosphonic cyclic anhydride
  • Propanephosphonic acid cyclic anhydride
  • PPACA
  • Propanephosphonic acid cyclic trimer
  • 2,4,6-Tripropyl-1,3,5-trioxa-2,4,6-triphosphinane-2,4,6-trioxide
  • T 3P

Work with Propanephosphonic acid anhydride

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

Diethyl propylphosphonate18812-51-659 % similar Diethyl butylphosphonate2404-75-346 % similar Tetraethyl ethylenediphosphonate995-32-443 % similar Diethyl decylphosphonate16165-68-743 % similar Propylphosphonic acid4672-38-239 % similar Tributylphosphine oxide814-29-939 % similar Tetraethyl methylenediphosphonate1660-94-238 % similar Tripropyl phosphate513-08-638 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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