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17:0 (2R-OH) ceramide

CAT: 0926-WZB29846-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0926-WZB29846-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1246298-46-3
Smiles
CCCCCCCCCCCCC/C=C/[C@@H] (O) [C@@H] (NC ([C@H] (O) CCCCCCCCCCCCCCC) =O) CO
Molecular Formula
C35H69NO4
Molecular Weight
567.93 g/mol
Controlled
No

Chemical Information

17:0(2R-OH) Ceramide
CAS Number1246298-46-3
PubChem CID136212730
IUPAC Name(2R)-N-[(E,2S,3R)-1,3-dihydroxyoctadec-4-en-2-yl]-2-hydroxyheptadecanamide
Molecular FormulaC35H69NO4
Molecular Weight567.9
XLogP12.7
Topological Polar Surface Area89.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count31
Heavy Atom Count40
Formal Charge0
Complexity554
SMILES
CCCCCCCCCCCCCCC[C@H](C(=O)N[C@@H](CO)[C@@H](/C=C/CCCCCCCCCCCCC)O)O
InChI
InChI=1S/C35H69NO4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(38)32(31-37)36-35(40)34(39)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h27,29,32-34,37-39H,3-26,28,30-31H2,1-2H3,(H,36,40)/b29-27+/t32-,33+,34+/m0/s1
InChIKey
MBKBHFOACJJHAN-NBVWUYLUSA-N
Chemical Structure
2D Structure
2D structure of 17:0(2R-OH) Ceramide
CAS: 1246298-46-3
CID: 136212730
Formula: C35H69NO4
MW: 567.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight567.9
XLogP312.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count31
Exact Mass567.52265968
Monoisotopic Mass567.52265968
Topological Polar Surface Area89.8 Ų
Heavy Atom Count40
Formal Charge0
Complexity554
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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