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Chemical structure of 1,2-Dihexanoyl-sn-glycero-3-phosphocholine-d22

GC76968

1,2-Dihexanoyl-sn-glycero-3-phosphocholine-d22

Also known as [(2R)-2,3-bis(2,2,3,3,4,4,5,5,6,6,6-undecadeuteriohexanoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate

1,2-Dihexanoyl-sn-glycero-3-phosphocholine-d22 is deuterium labeled 1,2-Dihexanoyl-sn-glycero-3-phosphocholine

ChemicalCAS328946-18-5MW475.64FormulaC20H18D22NO8P
CAS number
328946-18-5
Molecular weight
475.64
Formula
C20H18D22NO8P
Solubility
DMSO： 100 mg/mL (210·24 mM; Need ultrasonic)
InChIKey
DVZARZBAWHITHR-BGBVYDDGSA-N
Catalogue number
GC76968
Brand
GLPBIO
Computed properties PubChem CID 166600412 · XLogP 2.6 · TPSA 111 Ų · H-bond donors 0
XLogP
2.6
TPSA
111 Ų
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
20
Heavy atoms
30

SMILES [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])[2H]

Computed descriptors from PubChem (CID 166600412), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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