chempirical

1-Palmitoyl-2-myristoyl-sn-glycero-3-phosphocholine

C38H76NO8PCAS 69441-09-4706.00 g/mol

Open in Covalent MOL file
OOOPOO−ON+OO
EsterPhosphateQuaternary ammonium

Properties

Molecular formula
C38H76NO8P
Molar mass
706.00 g/mol
Exact mass
705.5309 Da
logP
9.83Crippen estimate
Polar surface area
111.2 Ų
H-bond donors / acceptors
0 / 8
Rotatable bonds
36
Stereocentres
Rin SMILES atom order

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
69441-09-4
SMILES
CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC
InChIKey
UIXXHROAQSBBOV-PSXMRANNSA-N
InChI
InChI=1S/C38H76NO8P/c1-6-8-10-12-14-16-18-19-21-22-24-26-28-30-37(40)44-34-36(35-46-48(42,43)45-33-32-39(3,4)5)47-38(41)31-29-27-25-23-20-17-15-13-11-9-7-2/h36H,6-35H2,1-5H3/t36-/m1/s1

Weigh it out

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

Work with 1-Palmitoyl-2-myristoyl-sn-glycero-3-phosphocholine

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

1-Lauroyl-2-palmitoyl -sn-glycero-3-phosphocholine127641-76-3100 % similar 1-Lauroyl-2-myristoyl-sn-glycero-3-phosphocholine127702-66-3100 % similar 1-Myristoyl-2-lauroyl-sn-glycero-3-phosphocholine127702-67-4100 % similar 1,2-Dimyristoyl-sn-glycero-3-phosphocholine18194-24-6100 % similar 1,2-Dilauroyl-sn-glycero-3-phosphocholine18194-25-7100 % similar 1-Stearoyl-2-myristoylphosphatidylcholine20664-02-2100 % similar 1-Hexadecanoyl-2-octadecanoyl-sn-glycero-3-phosphocholine59403-51-9100 % similar 1-Stearoyl-2-palmitoyl-sn-glycero-3-phosphocholine59403-53-1100 % similar

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

Same formula

1-Lauroyl-2-stearoyl -sn-glycero-3-phosphocholine127912-48-5 1-Myristoyl-2-palmitoyl-sn-glycero-3-phosphocholine69525-80-0 1-Stearoyl-2-lauroyl-sn-glycero-3-phosphocholine7276-39-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook