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Chemical structure of 1,2-Dimyristoyl-d54-sn-glycero-3-PC

GC45782

1,2-Dimyristoyl-d54-sn-glycero-3-PC

Also known as [(2R)-2,3-bis(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptacosadeuteriotetradecanoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate

1,2-Dimyristoyl-d54-sn-glycero-3-PC is the deuterium labeled 1,2-Dimyristoyl-sn-glycero-3-phosphocholine

ChemicalCAS78415-49-3MW732.3FormulaC36H18D54NO8P
CAS number
78415-49-3
Molecular weight
732.3
Formula
C36H18D54NO8P
Solubility
Ethanol： 25 mg/ml
InChIKey
CITHEXJVPOWHKC-RPLUSTTMSA-N
Catalogue number
GC45782
Brand
GLPBIO
Computed properties PubChem CID 46891699 · XLogP 11.3 · TPSA 111 Ų · H-bond donors 0
XLogP
11.3
TPSA
111 Ų
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
36
Heavy atoms
46

SMILES [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H]

Computed descriptors from PubChem (CID 46891699), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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