C20 Dihydroceramide

CAT: 0024-sc-210989Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-210989Size:5 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 Number	121459-06-1
PubChem CID	5283574
IUPAC Name	N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]icosanamide
Molecular Formula	C38H77NO3
Molecular Weight	596.0
XLogP	15.5
Topological Polar Surface Area	69.6
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	35
Heavy Atom Count	42
Formal Charge	0
Complexity	526

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

CAS: 121459-06-1

CID: 5283574

Formula: C38H77NO3

MW: 596.0

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	596.0
XLogP3	15.5
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	35
Exact Mass	595.59034532
Monoisotopic Mass	595.59034532
Topological Polar Surface Area	69.6 Å²
Heavy Atom Count	42
Formal Charge	0
Complexity	526
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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C20 Dihydroceramide

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