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Casrn : 326495-32-3

MolName : (2R)-2,3-Bis[(~2~H_27_)tetradecanoyloxy]propyl 2-{tris[(~2~H_3_)methyl]azaniumyl}(~2~H_4_)ethyl phosphate

MolecularFormula : C36H5NO8D67P

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(OC[C@H](COP([O-])(OC([2H])([2H])C([2H])([2H])[N+](C([2H])([2H])[2H])(C([2H])([2H

InChI : InChI=1S/C36H72NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-35(38)42-32-34(33-44-46(40,41)43-31-30-37(3,4)5)45-36(39)29-27-25-23-21-19-17-15-13-11-9-7-2/h34H,6-33H2,1-5H3/t34-/m1/s1/i1D3,2D3,3D3,4D3,5D3,6D2,7D2,8D2,9D2,10D2,11D2,12D2,13D2,14D2,15D2,16D2,17D2

InChIK : CITHEXJVPOWHKC-XPIYRYOSSA-N

CanonicalSyTyLFy : a7796c7cf07dcc21

TotalMolweight : 745.353

Molweight : 745.353

MonoisotopicMass : 744.913281

CLogP : 4.1415

CLogS : -5.274

H Acceptors : 9

TotalSurfaceArea : 585.26

Relative PSA : 0.15337

PolarSurfaceArea : 121

Druglikeness : -30.127

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : quart. ammonium; unwanted atom

Shape Index : 0.30088

Molecula Flexibility : 0.63704

Molecular Complexity : 1.0848

Fragments : 1

Non HAtoms : 113

NonCHAtoms : 77

Electronegative Atoms : 10

StereoCenters : 2

Rotatable Bond : 41

Sp3Atoms : 41

Symmetricatoms : 40

Amines : 1

AlkylAmines : 1

AcidicOxygens : 1

StereoCon : unknown chirality