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1,3-Diundecanoin

CAT: 0013-GTR19277555-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19277555-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
1,3-Diundecanoin is a lipid utilized in the formulation of lipid nanoparticles (LNP) for drug delivery applications.
CAS Number
150994-81-3
Smiles
O=C (OCC (O) COC (=O) CCCCCCCCCC) CCCCCCCCCC
Molecular Formula
C25H48O5
Molecular Weight
428.65
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Undecanoic acid, 2-hydroxy-1,3-propanediyl ester
CAS Number150994-81-3
PubChem CID77068203
IUPAC Name[(2S)-3-hydroxy-2-undecanoyloxypropyl] undecanoate
Molecular FormulaC25H48O5
Molecular Weight428.6
XLogP8.6
Topological Polar Surface Area72.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count24
Heavy Atom Count30
Formal Charge0
Complexity397
SMILES
CCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCC
InChI
InChI=1S/C25H48O5/c1-3-5-7-9-11-13-15-17-19-24(27)29-22-23(21-26)30-25(28)20-18-16-14-12-10-8-6-4-2/h23,26H,3-22H2,1-2H3/t23-/m0/s1
InChIKey
XPEVAPYTQHIGLO-QHCPKHFHSA-N
Chemical Structure
2D Structure
2D structure of Undecanoic acid, 2-hydroxy-1,3-propanediyl ester
CAS: 150994-81-3
CID: 77068203
Formula: C25H48O5
MW: 428.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight428.6
XLogP38.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count24
Exact Mass428.35017463
Monoisotopic Mass428.35017463
Topological Polar Surface Area72.8 Ų
Heavy Atom Count30
Formal Charge0
Complexity397
Isotope Atom Count0
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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