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C14 Dihydroceramide

CAT: 0024-sc-210984Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-210984Size:5 mg
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CAS Number
61389-70-6

Chemical Information

N-(tetradecanoyl)-sphinganine

N-tetradecanoylsphinganine is a dihydroceramide in which the ceramide N-acyl group is specified as tetradecanoyl (myristoyl).

CAS Number61389-70-6
PubChem CID10255824
IUPAC NameN-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]tetradecanamide
Molecular FormulaC32H65NO3
Molecular Weight511.9
XLogP12.3
Topological Polar Surface Area69.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count29
Heavy Atom Count36
Formal Charge0
Complexity443
SMILES
CCCCCCCCCCCCCCC[C@H]([C@H](CO)NC(=O)CCCCCCCCCCCCC)O
InChI
InChI=1S/C32H65NO3/c1-3-5-7-9-11-13-15-16-18-19-21-23-25-27-31(35)30(29-34)33-32(36)28-26-24-22-20-17-14-12-10-8-6-4-2/h30-31,34-35H,3-29H2,1-2H3,(H,33,36)/t30-,31+/m0/s1
InChIKey
UDTSZXVRDXQARY-IOWSJCHKSA-N
Chemical Structure
2D Structure
2D structure of N-(tetradecanoyl)-sphinganine
CAS: 61389-70-6
CID: 10255824
Formula: C32H65NO3
MW: 511.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight511.9
XLogP312.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count29
Exact Mass511.49644494
Monoisotopic Mass511.49644494
Topological Polar Surface Area69.6 Ų
Heavy Atom Count36
Formal Charge0
Complexity443
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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