Sphingosine-d7

CAT: 0926-WZB30434-02Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0926-WZB30434-02Size:10 mg

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CAS Number

1246304-34-6

Smiles

OC[C@@] (N) ([H]) [C@@] (O) ([H]) /C=C/CCCCCCCCCCC (C (C ([2H]) ([2H]) [2H]) ([2H]) [2H]) ([2H]) [2H]

Molecular Formula

C18H30D7NO2

Molecular Weight

306.54 g/mol

Controlled

Chemical Information

D-erythro-sphingosine-d7

CAS Number	1246304-34-6
PubChem CID	131846122
IUPAC Name	(E,2S,3R)-2-amino-16,16,17,17,18,18,18-heptadeuteriooctadec-4-ene-1,3-diol
Molecular Formula	C18H37NO2
Molecular Weight	306.5
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

[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])CCCCCCCCCC/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/i1D3,2D2,3D2

InChIKey

WWUZIQQURGPMPG-AVMMVCTPSA-N

Chemical Structure

2D Structure

CAS: 1246304-34-6

CID: 131846122

Formula: C18H37NO2

MW: 306.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	306.5
XLogP3	5.3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	15
Exact Mass	306.326366645
Monoisotopic Mass	306.326366645
Topological Polar Surface Area	66.5 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	231
Isotope Atom Count	7
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

Catalog	Name
TRC-G596842-5MG	Globotriaosylceramide Sphingosine-d7
HY-101047S	D-erythro-Sphingosine-d7
HY-131701S-01	Lactosyl-C18-sphingosine-d7
MBS3920484	Galactosyl(beta) Sphingosine-d7
HY-108496S	Sphingosine-1-phosphate-d7
HY-146908S-01	N-Pentadecanoyl-D-erythro-sphingosine-d7
HY-146920S-01	3-O-Sulfo-galactosyl (β) sphingosine (d18:1) -d7 (ammonium)
HY-146764S-01	D-Lactosyl-β-1,1'-N-pentadecanoyl-D-erythro-sphingosine-d7
HY-146766S-01	D-Galactosyl-β-1,1'-N-tridecanoyl-D-erythro-sphingosine-d7
HY-146922S-01	D-Galactosyl-ß-1,1' N-nervonoyl-D-erythro-sphingosine-d7