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C8-Sphingosine

CAT: 0572-TRC-S680715-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-S680715-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
133094-50-5
Synonyms
(2S,3R,4E)-2-Amino-4-octene-1,3-diol, [R-[R*,S*-(E)]]-2-Amino-4-octene-1,3-diol;
Hazard Statement
No Data Available
Smiles
O[C@H](/C=C/CCC)[C@@H](N)CO
Molecular Formula
C8H17NO2
Molecular Weight
159.23
InChI
InChI=1S/C8H17NO2/c1-2-3-4-5-8(11)7(9)6-10/h4-5,7-8,10-11H,2-3,6,9H2,1H3/b5-4+/t7-,8+/m0/s1
Additionnal Information
IUPAC name: (2S,3R,E)-2-aminooct-4-ene-1,3-diol
Shipping Conditions
Room Temperature

Chemical Information

C8-Sphingosine
CAS Number133094-50-5
PubChem CID14883524
IUPAC Name(E,2S,3R)-2-aminooct-4-ene-1,3-diol
Molecular FormulaC8H17NO2
Molecular Weight159.23
XLogP-0.1
Topological Polar Surface Area66.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count11
Formal Charge0
Complexity115
SMILES
CCC/C=C/[C@H]([C@H](CO)N)O
InChI
InChI=1S/C8H17NO2/c1-2-3-4-5-8(11)7(9)6-10/h4-5,7-8,10-11H,2-3,6,9H2,1H3/b5-4+/t7-,8+/m0/s1
InChIKey
FIVWOMYSLFZPQF-ODAVYXMRSA-N
Chemical Structure
2D Structure
2D structure of C8-Sphingosine
CAS: 133094-50-5
CID: 14883524
Formula: C8H17NO2
MW: 159.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight159.23
XLogP3-0.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass159.125928785
Monoisotopic Mass159.125928785
Topological Polar Surface Area66.5 Ų
Heavy Atom Count11
Formal Charge0
Complexity115
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

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