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C20 Dihydroceramide

CAT: 0024-sc-210989ASize: 10 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-210989ASize:10 mg
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CAS Number
121459-06-1

Chemical Information

C20 Dihydroceramide

N-eicosanoylsphinganine is a dihydroceramide in which the ceramide N-acyl group is specified as eicosanoyl. It has a role as a mouse metabolite. It is functionally related to an icosanoic acid.

CAS Number121459-06-1
PubChem CID5283574
IUPAC NameN-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]icosanamide
Molecular FormulaC38H77NO3
Molecular Weight596.0
XLogP15.5
Topological Polar Surface Area69.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count35
Heavy Atom Count42
Formal Charge0
Complexity526
SMILES
CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](CCCCCCCCCCCCCCC)O
InChI
InChI=1S/C38H77NO3/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-38(42)39-36(35-40)37(41)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h36-37,40-41H,3-35H2,1-2H3,(H,39,42)/t36-,37+/m0/s1
InChIKey
ZWAUSWHRQBSECP-PQQNNWGCSA-N
Chemical Structure
2D Structure
2D structure of C20 Dihydroceramide
CAS: 121459-06-1
CID: 5283574
Formula: C38H77NO3
MW: 596.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight596.0
XLogP315.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count35
Exact Mass595.59034532
Monoisotopic Mass595.59034532
Topological Polar Surface Area69.6 Ų
Heavy Atom Count42
Formal Charge0
Complexity526
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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