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EOS (d18:1/32:1/18:2)

CAT: 0804-HY-139393Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-139393Size:1 Each
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Description
EOS (d18:1/32:1/18:2) is a biochemical reagent.
CAS Number
1318771-31-1
Product Name Alternative
C52:3 EOS (18:1/32:1 (22 Z) w18:2 (9Z,12Z) ; Esterified ω-hydroxyacyl sphingosine
UNSPSC
12352211
Hazard Statement
H302-H315-H319-H335-H341-H351-H372
Target
Biochemical Assay Reagents
Type
Reference compound
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/eos-d18-1-32-1-18-2.html
Smiles
CCCCC/C=C\C/C=C\CCCCCCCC(OCCCCCCCCC/C=C\CCCCCCCCCCCCCCCCCCCCC(N[C@@H](CO)[C@H](O)/C=C/CCCCCCCCCCCCC)=O)=O
Molecular Formula
C68H127NO5
Molecular Weight
1038.74
Precautions
P260-P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

9Z,12Z-octadecadienoicacid,(10Z)-32-[[(1S,2R,3E)-2-hydroxy-1-(hydroxymethyl)-3-heptadecen-1-yl]amino]-32-oxo-10-dotriaconten-1-ylester
CAS Number1318771-31-1
PubChem CID156593945
IUPAC Name[(Z)-32-[[(E,2S,3R)-1,3-dihydroxyoctadec-4-en-2-yl]amino]-32-oxodotriacont-10-enyl] (9Z,12Z)-octadeca-9,12-dienoate
Molecular FormulaC68H127NO5
Molecular Weight1038.7
XLogP26.4
Topological Polar Surface Area95.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count62
Heavy Atom Count74
Formal Charge0
Complexity1240
SMILES
CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)NC(=O)CCCCCCCCCCCCCCCCCCCC/C=C\CCCCCCCCCOC(=O)CCCCCCC/C=C\C/C=C\CCCCC)O
InChI
InChI=1S/C68H127NO5/c1-3-5-7-9-11-13-15-17-33-38-42-46-50-54-58-62-68(73)74-63-59-55-51-47-43-39-35-32-30-28-26-24-22-20-18-19-21-23-25-27-29-31-34-37-41-45-49-53-57-61-67(72)69-65(64-70)66(71)60-56-52-48-44-40-36-16-14-12-10-8-6-4-2/h11,13,17,28,30,33,56,60,65-66,70-71H,3-10,12,14-16,18-27,29,31-32,34-55,57-59,61-64H2,1-2H3,(H,69,72)/b13-11-,30-28-,33-17-,60-56+/t65-,66+/m0/s1
InChIKey
RPCGMGJNWKWWGU-AXIQRGFZSA-N
Chemical Structure
2D Structure
2D structure of 9Z,12Z-octadecadienoicacid,(10Z)-32-[[(1S,2R,3E)-2-hydroxy-1-(hydroxymethyl)-3-heptadecen-1-yl]amino]-32-oxo-10-dotriaconten-1-ylester
CAS: 1318771-31-1
CID: 156593945
Formula: C68H127NO5
MW: 1038.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1038.7
XLogP326.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count62
Exact Mass1037.97142615
Monoisotopic Mass1037.97142615
Topological Polar Surface Area95.9 Ų
Heavy Atom Count74
Formal Charge0
Complexity1240
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count4
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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