1,2-Di 3,7,11,15-tetramethylhexadecanoyl-sn-glycero-3-phosphocholine

C₄₈H₉₆NO₈PCAS 207131-40-6846.27 g/mol

Open in Covalent MOL file

Ester Phosphate Quaternary ammonium

Properties

Molecular formula: C₄₈H₉₆NO₈P
Molar mass: 846.27 g/mol
Exact mass: 845.6874 Da
logP: 12.58Crippen estimate
Polar surface area: 111.2 Å²
H-bond donors / acceptors: 0 / 8
Rotatable bonds: 38
Stereocentres: Rin SMILES atom order

Identifiers

CAS number

207131-40-6

SMILES

CC(C)CCCC(C)CCCC(C)CCCC(C)CC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CC(C)CCCC(C)CCCC(C)CCCC(C)C

InChIKey

UKDDQGWMHWQMBI-SOFRWFQSSA-N

InChI

InChI=1S/C48H96NO8P/c1-38(2)20-14-22-40(5)24-16-26-42(7)28-18-30-44(9)34-47(50)54-36-46(37-56-58(52,53)55-33-32-49(11,12)13)57-48(51)35-45(10)31-19-29-43(8)27-17-25-41(6)23-15-21-39(3)4/h38-46H,14-37H2,1-13H3/t40?,41?,42?,43?,44?,45?,46-/m1/s1

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Names and synonyms

1 names

Dphpc

Work with 1,2-Di 3,7,11,15-tetramethylhexadecanoyl-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-phosphocholine127641-76-359 % similar 1-Lauroyl-2-myristoyl-sn-glycero-3-phosphocholine127702-66-359 % similar 1-Myristoyl-2-lauroyl-sn-glycero-3-phosphocholine127702-67-459 % similar 1-Lauroyl-2-stearoyl -sn-glycero-3-phosphocholine127912-48-559 % similar 1,2-Dimyristoyl-sn-glycero-3-phosphocholine18194-24-659 % similar 1,2-Dilauroyl-sn-glycero-3-phosphocholine18194-25-759 % similar 1-Stearoyl-2-myristoylphosphatidylcholine20664-02-259 % similar Dipalmitoylphosphatidylcholine63-89-859 % similar

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

Elsewhere

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