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3-Ketodihydrosphingosine

CAT: 0572-TRC-K188525-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-K188525-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
18944-28-0
Synonyms
3-Oxosphinganine; Ketodihydrosphingosine; 3-Ketosphinganine; (2S)-2-Amino-1-hydroxy-3-octadecanone; 2(S)-3-Dehydrosphinganine; 2-Amino-1-hydroxy-3-octadecanone; D-2-Amino-1-hydroxy-3-octadecanone;
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
CCCCCCCCCCCCCCCC(=O)[C@@H](N)CO
Molecular Formula
C18H37NO2
Molecular Weight
299.49
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

3-Ketosphinganine

3-dehydrosphinganine is a 2-amino-1-hydroxyoctadecan-3-one that has S-configuration. It has a role as a mouse metabolite. It is functionally related to a sphinganine. It is a conjugate base of a 3-dehydrosphinganinium(1+).

CAS Number18944-28-0
PubChem CID439853
IUPAC Name(2S)-2-amino-1-hydroxyoctadecan-3-one
Molecular FormulaC18H37NO2
Molecular Weight299.5
XLogP5.7
Topological Polar Surface Area63.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count16
Heavy Atom Count21
Formal Charge0
Complexity231
SMILES
CCCCCCCCCCCCCCCC(=O)[C@H](CO)N
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/h17,20H,2-16,19H2,1H3/t17-/m0/s1
InChIKey
KBUNOSOGGAARKZ-KRWDZBQOSA-N
Chemical Structure
2D Structure
2D structure of 3-Ketosphinganine
CAS: 18944-28-0
CID: 439853
Formula: C18H37NO2
MW: 299.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight299.5
XLogP35.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count16
Exact Mass299.282429423
Monoisotopic Mass299.282429423
Topological Polar Surface Area63.3 Ų
Heavy Atom Count21
Formal Charge0
Complexity231
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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