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Palmitodiolein

CAT: 0931-T10004-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T10004-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2190-30-9
Target
Others
Related Pathways
Others
Bioactivity
Palmitodiolein is a triacylglycerol existed in vegetable oils.
Smiles
C(OC(CCCCCCC/C=C\CCCCCCCC)=O)(COC(CCCCCCC/C=C\CCCCCCCC)=O)COC(CCCCCCCCCCCCCCC)=O
Molecular Formula
C55H102O6
Molecular Weight
859.4
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1,2-Dioleoyl-3-palmitoylglycerol

1,2-dioleoyl-3-palmitoylglycerol is a triglyceride in which the acyl groups at positions 1 and 2 are specified as oleoyl while that at position 3 is specified as palmitoyl. It is functionally related to a hexadecanoic acid and an oleic acid.

CAS Number2190-30-9
PubChem CID25240174
IUPAC Name[3-hexadecanoyloxy-2-[(Z)-octadec-9-enoyl]oxypropyl] (Z)-octadec-9-enoate
Molecular FormulaC55H102O6
Molecular Weight859.4
XLogP22.2
Topological Polar Surface Area78.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count52
Heavy Atom Count61
Formal Charge0
Complexity989
SMILES
CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCC/C=C\CCCCCCCC
InChI
InChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h25-28,52H,4-24,29-51H2,1-3H3/b27-25-,28-26-
InChIKey
JFISYPWOVQNHLS-LBXGSASVSA-N
Chemical Structure
2D Structure
2D structure of 1,2-Dioleoyl-3-palmitoylglycerol
CAS: 2190-30-9
CID: 25240174
Formula: C55H102O6
MW: 859.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight859.4
XLogP322.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count52
Exact Mass858.76764097
Monoisotopic Mass858.76764097
Topological Polar Surface Area78.9 Ų
Heavy Atom Count61
Formal Charge0
Complexity989
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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