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C2 Sphingomyelin (d18:1/2:0)

CAT: 0804-HY-166226Size: 1 EachDry Ice: NoHazardous: No
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Description
C2 Sphingomyelin (d18:1/2:0) is an ester product.
CAS Number
74713-54-5
UNSPSC
12352211
Target
Biochemical Assay Reagents
Type
Natural Products
Related Pathways
Others
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/c2-sphingomyelin-d18-1-2-0.html
Smiles
CC(NC(C(O)/C=C/CCCCCCCCCCCCC)COP(OCC[N+](C)(C)C)([O-])=O)=O
Molecular Formula
C25H51N2O6P
Molecular Weight
506.66
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

C2 Sphingomyelin (d18:1/2:0)
CAS Number74713-54-5
PubChem CID11699080
IUPAC Name[(E)-2-acetamido-3-hydroxyoctadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
Molecular FormulaC25H51N2O6P
Molecular Weight506.7
XLogP5
Topological Polar Surface Area108
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count22
Heavy Atom Count34
Formal Charge0
Complexity586
SMILES
CCCCCCCCCCCCC/C=C/C(C(COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)C)O
InChI
InChI=1S/C25H51N2O6P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(29)24(26-23(2)28)22-33-34(30,31)32-21-20-27(3,4)5/h18-19,24-25,29H,6-17,20-22H2,1-5H3,(H-,26,28,30,31)/b19-18+
InChIKey
GTZSEZHHSPWFFN-VHEBQXMUSA-N
Chemical Structure
2D Structure
2D structure of C2 Sphingomyelin (d18:1/2:0)
CAS: 74713-54-5
CID: 11699080
Formula: C25H51N2O6P
MW: 506.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight506.7
XLogP35
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count22
Exact Mass506.34847435
Monoisotopic Mass506.34847435
Topological Polar Surface Area108 Ų
Heavy Atom Count34
Formal Charge0
Complexity586
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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