chempirical

Perifosine

C25H52NO4PCAS 157716-52-4461.67 g/mol

Open in Covalent MOL file
OPOO−ON+
PhosphateQuaternary ammonium

Properties

Molecular formula
C25H52NO4P
Molar mass
461.67 g/mol
Exact mass
461.3634 Da
logP
6.99Crippen estimate
Polar surface area
58.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
20

Identifiers

CAS number
157716-52-4
SMILES
CCCCCCCCCCCCCCCCCCOP(=O)([O-])OC1CC[N+](C)(C)CC1
InChIKey
SZFPYBIJACMNJV-UHFFFAOYSA-N
InChI
InChI=1S/C25H52NO4P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-29-31(27,28)30-25-20-22-26(2,3)23-21-25/h25H,4-24H2,1-3H3

Weigh it out

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

Names and synonyms

5 names
  • Piperidinium, 4-[[hydroxy(octadecyloxy)phosphinyl]oxy]-1,1-dimethyl-, inner salt
  • D 21266
  • NSC 639966
  • KRX 0401
  • (1,1-Dimethylpiperidin-1-ium-4-yl) octadecyl phosphate

Work with Perifosine

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

Miltefosine58066-85-658 % similar 1-Lauroyl-2-palmitoyl -sn-glycero-3-phosphocholine127641-76-342 % similar 1-Lauroyl-2-myristoyl-sn-glycero-3-phosphocholine127702-66-342 % similar 1-Myristoyl-2-lauroyl-sn-glycero-3-phosphocholine127702-67-442 % similar 1-Lauroyl-2-stearoyl -sn-glycero-3-phosphocholine127912-48-542 % similar 1,2-Dimyristoyl-sn-glycero-3-phosphocholine18194-24-642 % similar 1,2-Dilauroyl-sn-glycero-3-phosphocholine18194-25-742 % similar Dipalmitoylphosphatidylcholine63-89-842 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia