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Ace-1

CAT: 0804-HY-N15775Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-N15775Size:1 Each
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Description
ACe-1 is a ceramide derivative with an azobenzene moiety to allow for optical control of the N-acyl chain. ACe-1 is capable of reversibly switching lipid domains in a raft-like bilayer membrane[1].
CAS Number
2260670-55-9
UNSPSC
12352005
Target
Biochemical Assay Reagents
Related Pathways
Others
Field of Research
Others
Smiles
CCCCC(C=C1)=CC=C1/N=N/C2=CC=C(C=C2)CCCC(N[C@@H](CO)[C@H](O)/C=C/CCCCCCCCCCCCC)=O
Molecular Formula
C38H59N3O3
Molecular Weight
605.89
References & Citations
[1]Morstein J, et al. Photoswitchable Lipids. Chembiochem. 2021 Jan 5;22 (1) :73-83.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

4-[4-[(4-butylphenyl)diazenyl]phenyl]-N-[(E,2S,3R)-1,3-dihydroxyoctadec-4-en-2-yl]butanamide
CAS Number2260670-55-9
PubChem CID171322891
IUPAC Name4-[4-[(4-butylphenyl)diazenyl]phenyl]-N-[(E,2S,3R)-1,3-dihydroxyoctadec-4-en-2-yl]butanamide
Molecular FormulaC38H59N3O3
Molecular Weight605.9
XLogP11.4
Topological Polar Surface Area94.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count25
Heavy Atom Count44
Formal Charge0
Complexity742
SMILES
CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)NC(=O)CCCC1=CC=C(C=C1)N=NC2=CC=C(C=C2)CCCC)O
InChI
InChI=1S/C38H59N3O3/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-21-37(43)36(31-42)39-38(44)22-18-20-33-25-29-35(30-26-33)41-40-34-27-23-32(24-28-34)19-6-4-2/h17,21,23-30,36-37,42-43H,3-16,18-20,22,31H2,1-2H3,(H,39,44)/b21-17+,41-40?/t36-,37+/m0/s1
InChIKey
YLXGVJCCZLVXAT-GJWAAGPDSA-N
Chemical Structure
2D Structure
2D structure of 4-[4-[(4-butylphenyl)diazenyl]phenyl]-N-[(E,2S,3R)-1,3-dihydroxyoctadec-4-en-2-yl]butanamide
CAS: 2260670-55-9
CID: 171322891
Formula: C38H59N3O3
MW: 605.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight605.9
XLogP311.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count25
Exact Mass605.45564275
Monoisotopic Mass605.45564275
Topological Polar Surface Area94.3 Ų
Heavy Atom Count44
Formal Charge0
Complexity742
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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