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DSPC-d70

CAT: 1118-LP-R4-558-02Size: 10 gDry Ice: NoHazardous: No
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CAT#:1118-LP-R4-558-02Size:10 g
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CAS Number
56952-01-3
Purity
≥95% (HPTLC)
Molecular Weight
860.58
Related Products
Cholesterol-d6
Grade
R&D

Chemical Information

1,2-Distearoyl-D70-3-SN-glycerophosphatidylcholine
CAS Number56952-01-3
PubChem CID46891709
IUPAC Name[(2R)-2,3-bis(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-pentatriacontadeuteriooctadecanoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate
Molecular FormulaC44H88NO8P
Molecular Weight860.6
XLogP15.6
Topological Polar Surface Area111
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count44
Heavy Atom Count54
Formal Charge0
Complexity888
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([2H])([2H])C([2H])([2H])C(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)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])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H]
InChI
InChI=1S/C44H88NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h42H,6-41H2,1-5H3/t42-/m1/s1/i1D3,2D3,6D2,7D2,8D2,9D2,10D2,11D2,12D2,13D2,14D2,15D2,16D2,17D2,18D2,19D2,20D2,21D2,22D2,23D2,24D2,25D2,26D2,27D2,28D2,29D2,30D2,31D2,32D2,33D2,34D2,35D2,36D2,37D2
InChIKey
NRJAVPSFFCBXDT-MNVUKWGGSA-N
Chemical Structure
2D Structure
2D structure of 1,2-Distearoyl-D70-3-SN-glycerophosphatidylcholine
CAS: 56952-01-3
CID: 46891709
Formula: C44H88NO8P
MW: 860.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight860.6
XLogP315.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count44
Exact Mass860.06412798
Monoisotopic Mass860.06412798
Topological Polar Surface Area111 Ų
Heavy Atom Count54
Formal Charge0
Complexity888
Isotope Atom Count70
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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