Sphingosine

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CAT#:0926-FS168079-03Size:0.1 g

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CAS Number

123-78-4

Smiles

CCCCCCCCCCCCC/C=C/[C@H] ([C@H] (CO) N) O

Molecular Formula

C18H37NO2

Molecular Weight

299.49 g/mol

Controlled

Chemical Information

Sphingosine

Sphingosine is a sphing-4-enine in which the double bond is trans. It has a role as a mouse metabolite and a human metabolite. It is a conjugate base of a sphingosine(1+). It is an enantiomer of a L-erythro-sphingosine.

CAS Number	123-78-4
PubChem CID	5280335
IUPAC Name	(E,2S,3R)-2-aminooctadec-4-ene-1,3-diol
Molecular Formula	C18H37NO2
Molecular Weight	299.5
XLogP	5.3
Topological Polar Surface Area	66.5
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	15
Heavy Atom Count	21
Formal Charge	0
Complexity	231

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+/m0/s1

InChIKey

WWUZIQQURGPMPG-KRWOKUGFSA-N

Chemical Structure

2D Structure

CAS: 123-78-4

CID: 5280335

Formula: C18H37NO2

MW: 299.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	299.5
XLogP3	5.3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	15
Exact Mass	299.282429423
Monoisotopic Mass	299.282429423
Topological Polar Surface Area	66.5 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	231
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
FS16403-01	Sphinganine
QHA24936-01	Hydroxypalmitoyl sphinganine
WZB30435-01	Sphinganine-d7
WZB29832-01	1-Deoxy-L-threo-sphinganine-d3
ABA51553-01	3-Keto sphinganine (d18:0) hydrochloride

Alternative Products

Catalog	Name
S5452-01	Sphingosine (D-erythro-Sphingosine)
MBS807947-01	Sphingosine
HY-134104-01	C20-Sphingosine
TYD-03053-01	Photoswitchable sphingosine
162977	C12-Sphingosine
TRC-S680715-250MG	C8-Sphingosine
abx656987-01	Sphingosine (OVA)
GTR10387489	Monkey Sphingosine
GTR10375046	Chicken Sphingosine
GTR19305466-01	NBD Sphingosine

Sphingosine

Chemical Information

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