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16:0-18:1 PG-d5

CAT: 0804-HY-146878SSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-146878SSize:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
16:0-18:1 PG-d5 is deuterium labeled 16:0-18:1 PG.
CAS Number
1246298-34-9
UNSPSC
12352211
Target
Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Others
Field of Research
Others
Purity
98.0
Solubility
10 mM in DMSO
Smiles
OC([2H])([2H])C(O)([2H])C([2H])([2H])OP(OC[C@H](OC(CCCCCCC/C=C\CCCCCCCC)=O)COC(CCCCCCCCCCCCCCC)=O)([O-])=O.[NH4+]
Molecular Formula
C40H75D5NO10P
Molecular Weight
771.07
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
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

azanium [(2R)-3-hexadecanoyloxy-2-[(E)-octadec-9-enoyl]oxypropyl] (1,1,2,3,3-pentadeuterio-2,3-dihydroxypropyl) phosphate
CAS Number1246298-34-9
PubChem CID178188679
IUPAC Nameazanium [(2R)-3-hexadecanoyloxy-2-[(E)-octadec-9-enoyl]oxypropyl] (1,1,2,3,3-pentadeuterio-2,3-dihydroxypropyl) phosphate
Molecular FormulaC40H80NO10P
Molecular Weight771.1
Topological Polar Surface Area153
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count41
Heavy Atom Count52
Formal Charge0
Complexity860
SMILES
[2H]C([2H])(C([2H])(C([2H])([2H])OP(=O)([O-])OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC/C=C/CCCCCCCC)O)O.[NH4+]
InChI
InChI=1S/C40H77O10P.H3N/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(44)50-38(36-49-51(45,46)48-34-37(42)33-41)35-47-39(43)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2;/h17-18,37-38,41-42H,3-16,19-36H2,1-2H3,(H,45,46);1H3/b18-17+;/t37?,38-;/m1./s1/i33D2,34D2,37D;
InChIKey
WFYVYFVKHCDATR-DCPZMDTFSA-N
Chemical Structure
2D Structure
2D structure of azanium [(2R)-3-hexadecanoyloxy-2-[(E)-octadec-9-enoyl]oxypropyl] (1,1,2,3,3-pentadeuterio-2,3-dihydroxypropyl) phosphate
CAS: 1246298-34-9
CID: 178188679
Formula: C40H80NO10P
MW: 771.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight771.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count41
Exact Mass770.58336848
Monoisotopic Mass770.58336848
Topological Polar Surface Area153 Ų
Heavy Atom Count52
Formal Charge0
Complexity860
Isotope Atom Count5
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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