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C8 Dihydroceramide

CAT: 0024-sc-205611ASize: 25 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-205611ASize:25 mg
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CAS Number
145774-33-0

Chemical Information

Cer(d18:0/8:0)

N-octanoyldihydrosphingosine is a dihydroceramide in which the N-acyl group is specified as octanoyl. It is functionally related to an octanoic acid.

CAS Number145774-33-0
PubChem CID6610274
IUPAC NameN-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]octanamide
Molecular FormulaC26H53NO3
Molecular Weight427.7
XLogP9
Topological Polar Surface Area69.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count23
Heavy Atom Count30
Formal Charge0
Complexity362
SMILES
CCCCCCCCCCCCCCC[C@H]([C@H](CO)NC(=O)CCCCCCC)O
InChI
InChI=1S/C26H53NO3/c1-3-5-7-9-10-11-12-13-14-15-16-18-19-21-25(29)24(23-28)27-26(30)22-20-17-8-6-4-2/h24-25,28-29H,3-23H2,1-2H3,(H,27,30)/t24-,25+/m0/s1
InChIKey
LGOFBZUQIUVJFS-LOSJGSFVSA-N
Chemical Structure
2D Structure
2D structure of Cer(d18:0/8:0)
CAS: 145774-33-0
CID: 6610274
Formula: C26H53NO3
MW: 427.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight427.7
XLogP39
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count23
Exact Mass427.40254455
Monoisotopic Mass427.40254455
Topological Polar Surface Area69.6 Ų
Heavy Atom Count30
Formal Charge0
Complexity362
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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