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Triheneicosanoin

CAT: 0572-TRC-T265360-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-T265360-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
26536-14-1
Hazard Statement
No Data Available
Smiles
O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCC
Molecular Formula
C66 H128 O6
Molecular Weight
1017.719
InChI
InChI=1S/C66H128O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-64(67)70-61-63(72-66(69)60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h63H,4-62H2,1-3H3
Additionnal Information
IUPAC name: 2,3-di(henicosanoyloxy)propyl henicosanoate
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

1,2,3-Triheneicosanoyl-glycerol
CAS Number26536-14-1
PubChem CID4118145
IUPAC Name2,3-di(henicosanoyloxy)propyl henicosanoate
Molecular FormulaC66H128O6
Molecular Weight1017.7
XLogP30.1
Topological Polar Surface Area78.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count65
Heavy Atom Count72
Formal Charge0
Complexity1020
SMILES
CCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCC
InChI
InChI=1S/C66H128O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-64(67)70-61-63(72-66(69)60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h63H,4-62H2,1-3H3
InChIKey
UTPJJAGAXCDLAG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,2,3-Triheneicosanoyl-glycerol
CAS: 26536-14-1
CID: 4118145
Formula: C66H128O6
MW: 1017.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1017.7
XLogP330.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count65
Exact Mass1016.97109180
Monoisotopic Mass1016.97109180
Topological Polar Surface Area78.9 Ų
Heavy Atom Count72
Formal Charge0
Complexity1020
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BBA53614-01Triheneicosanoin

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