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Chemical structure of 16:0-18:1 PE-d31

GC75323

16:0-18:1 PE-d31

Also known as 2-azaniumylethyl [(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]oxypropyl] phosphate

16:0-18:1 PE-d31 is deuterium labeled 16:0-18:1 PE

ChemicalCAS326495-44-7MW749.19FormulaC39H45D31NO8P
CAS number
326495-44-7
Molecular weight
749.19
Formula
C39H45D31NO8P
InChIKey
FHQVHHIBKUMWTI-UAXXPTAZSA-N
Catalogue number
GC75323
Brand
GLPBIO
Computed properties PubChem CID 46891715 · XLogP 12.6 · TPSA 139 Ų · H-bond donors 1
XLogP
12.6
TPSA
139 Ų
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
40
Heavy atoms
49

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-])OCC[NH3+])OC(=O)CCCCCCC/C=C\CCCCCCCC

Computed descriptors from PubChem (CID 46891715), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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