Sphinganine-d7

CAT: 0926-WZB30435-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0926-WZB30435-01Size:5 mg

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CAS Number

1246304-35-7

Smiles

OC[C@@] (N) ([H]) [C@@] (O) ([H]) CCCCCCCCCCCCC (C (C ([2H]) ([2H]) [2H]) ([2H]) [2H]) ([2H]) [2H]

Molecular Formula

C18H32D7NO2

Molecular Weight

308.55 g/mol

Controlled

Chemical Information

D-erythro-sphinganine-d7

CAS Number	1246304-35-7
PubChem CID	131846123
IUPAC Name	(2S,3R)-2-amino-16,16,17,17,18,18,18-heptadeuteriooctadecane-1,3-diol
Molecular Formula	C18H39NO2
Molecular Weight	308.6
XLogP	5.8
Topological Polar Surface Area	66.5
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	16
Heavy Atom Count	21
Formal Charge	0
Complexity	200

SMILES

[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])CCCCCCCCCCCC[C@H]([C@H](CO)N)O

InChI

InChI=1S/C18H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h17-18,20-21H,2-16,19H2,1H3/t17-,18+/m0/s1/i1D3,2D2,3D2

InChIKey

OTKJDMGTUTTYMP-GEZFCKIXSA-N

Chemical Structure

2D Structure

CAS: 1246304-35-7

CID: 131846123

Formula: C18H39NO2

MW: 308.6

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	308.6
XLogP3	5.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	16
Exact Mass	308.342016708
Monoisotopic Mass	308.342016708
Topological Polar Surface Area	66.5 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	200
Isotope Atom Count	7
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
FS16403-01	Sphinganine
WZB30434-01	Sphingosine-d7
QHA24936-01	Hydroxypalmitoyl sphinganine
KQD67015-01	Sphingosine-1-phosphate-d7
TYB91170-01	Carisoprodol-d7
WZB81814-01	Propiconazole-d7
IDA19947-01	Cholesterol (D7)
EBC22043-01	Fosinoprilat-d7
KQD66910-01	Lathosterol-d7
WDC60419-01	Diacetolol d7

Catalog	Name
HY-113116S	Sphinganine 1-phosphate-d7
HY-146763S-01	N-Tridecanoyl-D-erythro-sphinganine-d7
HY-146904S-01	3-Keto sphinganine-d7 (d18:0) (hydrochloride)
289084-01	Sphinganine
TRC-S680675-100MG	Sphinganine-C20
GTR19305458-01	NBD-sphinganine
HY-W800840	Alkyne sphinganine
MBS393594-01	Dihydrosphingosine (sphinganine)
TRC-S680665-100MG	Sphinganine-C17
HY-W923636	N-Oleoyl sphinganine