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D-Threo-sphingosine

CAT: 0804-HY-165761Size: 1 EachDry Ice: NoHazardous: No
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Description
D-Threo-sphingosine ((E) -2-Aminooctadec-4-ene-1,3-diol) is an ester product.
CAS Number
6036-85-7
Product Name Alternative
(E) -2-Aminooctadec-4-ene-1,3-diol
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/d-threo-sphingosine.html
Smiles
OCC(C(/C=C/CCCCCCCCCCCCC)O)N
Molecular Formula
C18H37NO2
Molecular Weight
299.49
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Threo-sphingosine, (+)-
CAS Number6036-85-7
PubChem CID447699
IUPAC Name(E,2R,3R)-2-aminooctadec-4-ene-1,3-diol
Molecular FormulaC18H37NO2
Molecular Weight299.5
XLogP5.3
Topological Polar Surface Area66.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count15
Heavy Atom Count21
Formal Charge0
Complexity231
SMILES
CCCCCCCCCCCCC/C=C/[C@H]([C@@H](CO)N)O
InChI
InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h14-15,17-18,20-21H,2-13,16,19H2,1H3/b15-14+/t17-,18-/m1/s1
InChIKey
WWUZIQQURGPMPG-NVGHFZOBSA-N
Chemical Structure
2D Structure
2D structure of Threo-sphingosine, (+)-
CAS: 6036-85-7
CID: 447699
Formula: C18H37NO2
MW: 299.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight299.5
XLogP35.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count15
Exact Mass299.282429423
Monoisotopic Mass299.282429423
Topological Polar Surface Area66.5 Ų
Heavy Atom Count21
Formal Charge0
Complexity231
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes