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Chemical structure of 16:0-18:1 PS-d31 sodium

GC75324

16:0-18:1 PS-d31 sodium

Also known as sodium (2S)-2-azaniumyl-3-[[(2R)-3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-hentriacontadeuteriohexadecanoyloxy)-2-[(Z)-octadec-9-enoyl]oxypropoxy]-oxidophosphoryl]oxypropanoate

16:0-18:1 PS-d31 (sodium) is deuterium labeled 16:0-18:1 PS (sodium)

ChemicalCAS327178-96-1MW815.18FormulaC40H44D31NNaO10P
CAS number
327178-96-1
Molecular weight
815.18
Formula
C40H44D31NNaO10P
InChIKey
RQYKXRYGZHMUSU-XETPNRLVSA-M
Catalogue number
GC75324
Brand
GLPBIO
Computed properties PubChem CID 46891721 · TPSA 179 Ų · H-bond donors 1 · H-bond acceptors 10
TPSA
179 Ų
H-bond donors
1
H-bond acceptors
10
Rotatable bonds
40
Heavy atoms
53

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([2H])([2H])C([2H])([2H])C(=O)OC[C@H](COP(=O)([O-])OC[C@@H](C(=O)[O-])[NH3+])OC(=O)CCCCCCC/C=C\CCCCCCCC.[Na+]

Computed descriptors from PubChem (CID 46891721), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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