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D-erythro-Sphingosine-C17

CAT: 0572-TRC-S681005-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-S681005-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
6918-48-5
Synonyms
C17-Sphingosine; D-erythro-Heptadecasphing-4-enine; (E)-D-erythro-2-Amino-4-heptadecene-1,3-diol; [R-[R*,S*-(E)]]-2-Amino-4-heptadecene-1,3-diol; (2S,3R,E)-2-Aminoheptadec-4-ene-1,3-diol
Hazard Statement
No Data Available
Smiles
OC[C@@H]([C@@H](/C=C/CCCCCCCCCCCC)O)N
Molecular Formula
C17H35NO2
Molecular Weight
285.47
InChI
InChI=1S/C17H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(20)16(18)15-19/h13-14,16-17,19-20H,2-12,15,18H2,1H3/b14-13+/t16-,17+/m0/s1
Additionnal Information
IUPAC name: (2S,3R,E)-2-aminoheptadec-4-ene-1,3-diol
Shipping Conditions
Room Temperature

Chemical Information

C17 Sphingosine

C17 sphingosine is a sphingoid that is the C17 analogue of sphingosine. It is an aminodiol and a sphingoid. It is a conjugate base of a C17 sphingosine(1+).

CAS Number6918-48-5
PubChem CID5283557
IUPAC Name(E,2S,3R)-2-aminoheptadec-4-ene-1,3-diol
Molecular FormulaC17H35NO2
Molecular Weight285.5
XLogP4.7
Topological Polar Surface Area66.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count14
Heavy Atom Count20
Formal Charge0
Complexity219
SMILES
CCCCCCCCCCCC/C=C/[C@H]([C@H](CO)N)O
InChI
InChI=1S/C17H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(20)16(18)15-19/h13-14,16-17,19-20H,2-12,15,18H2,1H3/b14-13+/t16-,17+/m0/s1
InChIKey
RBEJCQPPFCKTRZ-LHMZYYNSSA-N
Chemical Structure
2D Structure
2D structure of C17 Sphingosine
CAS: 6918-48-5
CID: 5283557
Formula: C17H35NO2
MW: 285.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight285.5
XLogP34.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count14
Exact Mass285.266779359
Monoisotopic Mass285.266779359
Topological Polar Surface Area66.5 Ų
Heavy Atom Count20
Formal Charge0
Complexity219
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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