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DPPC-d31

CAT: 0804-HY-146891S-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-146891S-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
16:0-16:0 PC-d31 is deuterium labeled 16:0-16:0 PC.
CAS Number
56952-02-4
Product Name Alternative
129Y83-d31
UNSPSC
12352211
Target
Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Others
Field of Research
Others
Solubility
10 mM in DMSO
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[C@H](COC(CCCCCCCCCCCCCCC)=O)COP(OCC[N+](C)(C)C)([O-])=O)=O
Molecular Formula
C40H49D31NO8P
Molecular Weight
765.23
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-Palmitoyl-2-palmitoyl-d31-sn-glycero-3-phosphocholine
CAS Number56952-02-4
PubChem CID136212653
IUPAC Name[(2R)-2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-hentriacontadeuteriohexadecanoyloxy)-3-hexadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Molecular FormulaC40H80NO8P
Molecular Weight765.2
XLogP13.5
Topological Polar Surface Area111
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count40
Heavy Atom Count50
Formal Charge0
Complexity826
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)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
InChI
InChI=1S/C40H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41(3,4)5)49-40(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h38H,6-37H2,1-5H3/t38-/m1/s1/i2D3,7D2,9D2,11D2,13D2,15D2,17D2,19D2,21D2,23D2,25D2,27D2,29D2,31D2,33D2
InChIKey
KILNVBDSWZSGLL-PZEIKBMPSA-N
Chemical Structure
2D Structure
2D structure of 1-Palmitoyl-2-palmitoyl-d31-sn-glycero-3-phosphocholine
CAS: 56952-02-4
CID: 136212653
Formula: C40H80NO8P
MW: 765.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight765.2
XLogP313.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count40
Exact Mass764.75673463
Monoisotopic Mass764.75673463
Topological Polar Surface Area111 Ų
Heavy Atom Count50
Formal Charge0
Complexity826
Isotope Atom Count31
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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