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16:0 (2R-OH) ceramide

CAT: 0926-JBA83902-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-JBA83902-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
34839-02-6
Smiles
CCCCCCCCCCCCC/C=C/[C@@H] (O) [C@@H] (NC ([C@H] (O) CCCCCCCCCCCCCC) =O) CO
Molecular Formula
C34H67NO4
Molecular Weight
553.9 g/mol
Controlled
No

Chemical Information

16:0(2R-OH) Ceramide
CAS Number34839-02-6
PubChem CID136212728
IUPAC Name(2R)-N-[(E,2S,3R)-1,3-dihydroxyoctadec-4-en-2-yl]-2-hydroxyhexadecanamide
Molecular FormulaC34H67NO4
Molecular Weight553.9
XLogP12.1
Topological Polar Surface Area89.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count30
Heavy Atom Count39
Formal Charge0
Complexity539
SMILES
CCCCCCCCCCCCCC[C@H](C(=O)N[C@@H](CO)[C@@H](/C=C/CCCCCCCCCCCCC)O)O
InChI
InChI=1S/C34H67NO4/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-32(37)31(30-36)35-34(39)33(38)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h26,28,31-33,36-38H,3-25,27,29-30H2,1-2H3,(H,35,39)/b28-26+/t31-,32+,33+/m0/s1
InChIKey
YWZGQPJRQXHVQX-GGMPIESISA-N
Chemical Structure
2D Structure
2D structure of 16:0(2R-OH) Ceramide
CAS: 34839-02-6
CID: 136212728
Formula: C34H67NO4
MW: 553.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight553.9
XLogP312.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count30
Exact Mass553.50700962
Monoisotopic Mass553.50700962
Topological Polar Surface Area89.8 Ų
Heavy Atom Count39
Formal Charge0
Complexity539
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