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12:0 (2S-OH) ceramide

CAT: 0926-WZB29845-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0926-WZB29845-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1246298-45-2
Smiles
CCCCCCCCCCCCC/C=C/[C@@H] (O) [C@@H] (NC ([C@@H] (O) CCCCCCCCCC) =O) CO
Molecular Formula
C30H59NO4
Molecular Weight
497.79 g/mol
Controlled
No

Chemical Information

12:0(2S-OH) Ceramide
CAS Number1246298-45-2
PubChem CID136212573
IUPAC Name(2S)-N-[(E,2S,3R)-1,3-dihydroxyoctadec-4-en-2-yl]-2-hydroxydodecanamide
Molecular FormulaC30H59NO4
Molecular Weight497.8
XLogP10
Topological Polar Surface Area89.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count26
Heavy Atom Count35
Formal Charge0
Complexity483
SMILES
CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)NC(=O)[C@H](CCCCCCCCCC)O)O
InChI
InChI=1S/C30H59NO4/c1-3-5-7-9-11-13-14-15-16-17-19-20-22-24-28(33)27(26-32)31-30(35)29(34)25-23-21-18-12-10-8-6-4-2/h22,24,27-29,32-34H,3-21,23,25-26H2,1-2H3,(H,31,35)/b24-22+/t27-,28+,29-/m0/s1
InChIKey
CPDJNFOAARXMMT-NGXZUFBYSA-N
Chemical Structure
2D Structure
2D structure of 12:0(2S-OH) Ceramide
CAS: 1246298-45-2
CID: 136212573
Formula: C30H59NO4
MW: 497.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight497.8
XLogP310
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count26
Exact Mass497.44440936
Monoisotopic Mass497.44440936
Topological Polar Surface Area89.8 Ų
Heavy Atom Count35
Formal Charge0
Complexity483
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
GTR19268817-01C24:0 (2R-OH) Mono-sulfo galactosyl (ß) ceramide (d18:1/24:0)
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HY-158878C12 ((±) -2'-Hydroxy) dihydro ceramide (d18:0/12:0)
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5121C93CFC-12-2S
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