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DMPG-d54 (sodium)

CAT: 0804-HY-22274S-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-22274S-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
1,2-Dimyristoyl-sn-glycero-3-phospho- (1'-rac-glycerol) -d54 (sodium) is deuterium labeled 1,2-Dimyristoyl-sn-glycero-3-phospho- (1'-rac-glycerol) (sodium) .
CAS Number
326495-45-8
UNSPSC
12352211
Target
Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Others
Field of Research
Others
Solubility
10 mM in DMSO
Smiles
OCC(O)COP(OC[C@@H](COC(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])=O)OC(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])=O)(O[Na])=O
Molecular Formula
C34H12D54NaO10P
Molecular Weight
743.18
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53 (2) :211-223.
Shipping Conditions
Room temperature
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

1,2-Dimyristoyl-d54-sn-glycero-3-[phospho-rac-(1-glycerol)] (sodium salt)
CAS Number326495-45-8
PubChem CID171369740
IUPAC Name2,3-dihydroxypropyl [(2R)-2-(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)-3-(2,2,3,3,4,4-hexadeuteriobutoxy)propyl] phosphate
Molecular FormulaC24H48O9P-
Molecular Weight544.8
XLogP4.9
Topological Polar Surface Area135
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count26
Heavy Atom Count34
Formal Charge-1
Complexity510
SMILES
[2H]C([2H])C([2H])([2H])C([2H])([2H])COC[C@H](COP(=O)([O-])OCC(CO)O)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]
InChI
InChI=1S/C24H49O9P/c1-3-5-7-8-9-10-11-12-13-14-15-16-24(27)33-23(20-30-17-6-4-2)21-32-34(28,29)31-19-22(26)18-25/h22-23,25-26H,3-21H2,1-2H3,(H,28,29)/p-1/t22?,23-/m1/s1/i1D3,2D2,3D2,4D2,5D2,6D2,7D2,8D2,9D2,10D2,11D2,12D2,13D2,14D2,15D2,16D2
InChIKey
PNXMSWMCFRMVTE-TWIUEIMMSA-M
Chemical Structure
2D Structure
2D structure of 1,2-Dimyristoyl-d54-sn-glycero-3-[phospho-rac-(1-glycerol)] (sodium salt)
CAS: 326495-45-8
CID: 171369740
Formula: C24H48O9P-
MW: 544.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight544.8
XLogP34.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count26
Exact Mass544.51072772
Monoisotopic Mass544.51072772
Topological Polar Surface Area135 Ų
Heavy Atom Count34
Formal Charge-1
Complexity510
Isotope Atom Count33
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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