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Glycidyl stearate-d35

CAT: 0926-WZB82060-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0926-WZB82060-01Size:25 mg
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CAS Number
1246820-60-9
Smiles
CCCCCCCCCCCCCCCCCC (=O) OCC1CO1
Molecular Formula
C21H40O3
Molecular Weight
375.8 g/mol
Controlled
No

Chemical Information

Glycidyl Stearate-d35
CAS Number1246820-60-9
PubChem CID71317146
IUPAC Nameoxiran-2-ylmethyl 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-pentatriacontadeuteriooctadecanoate
Molecular FormulaC21H40O3
Molecular Weight375.8
XLogP8.2
Topological Polar Surface Area38.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count19
Heavy Atom Count24
Formal Charge0
Complexity291
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)OCC1CO1
InChI
InChI=1S/C21H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(22)24-19-20-18-23-20/h20H,2-19H2,1H3/i1D3,2D2,3D2,4D2,5D2,6D2,7D2,8D2,9D2,10D2,11D2,12D2,13D2,14D2,15D2,16D2,17D2
InChIKey
OUQGOXCIUOCDNN-KNAXIHRDSA-N
Chemical Structure
2D Structure
2D structure of Glycidyl Stearate-d35
CAS: 1246820-60-9
CID: 71317146
Formula: C21H40O3
MW: 375.8
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight375.8
XLogP38.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count19
Exact Mass375.51743124
Monoisotopic Mass375.51743124
Topological Polar Surface Area38.8 Ų
Heavy Atom Count24
Formal Charge0
Complexity291
Isotope Atom Count35
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes