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Glucosylsphingosine-d7

CAT: 0804-HY-N7745SSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N7745SSize:1 mg
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Description
Glucosylsphingosine-d7 is deuterium labeled Glucosylsphingosine.
CAS Number
2315262-29-2
Product Name Alternative
Glucopsychosine-d7; Lyso-Gb1-d7; Lyso-GL1-d7
UNSPSC
12352005
Target
Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Others
Field of Research
Others
Purity
99.04
Solubility
10 mM in DMSO
Smiles
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])CCCCCCCCCC/C=C/[C@@H](O)[C@@H](N)CO[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO
Molecular Formula
C24H40D7NO7
Molecular Weight
468.68
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53 (2) :211-223.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

D-glucosyl-beta-1,1'-D-erythro-sphingosine-d7
CAS Number2315262-29-2
PubChem CID172638596
IUPAC Name(2R,3R,4S,5S,6R)-2-[(E,2S,3R)-2-amino-16,16,17,17,18,18,18-heptadeuterio-3-hydroxyoctadec-4-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular FormulaC24H47NO7
Molecular Weight468.7
XLogP3.7
Topological Polar Surface Area146
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count18
Heavy Atom Count32
Formal Charge0
Complexity479
SMILES
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])CCCCCCCCCC/C=C/[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)N)O
InChI
InChI=1S/C24H47NO7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(27)18(25)17-31-24-23(30)22(29)21(28)20(16-26)32-24/h14-15,18-24,26-30H,2-13,16-17,25H2,1H3/b15-14+/t18-,19+,20+,21+,22-,23+,24+/m0/s1/i1D3,2D2,3D2
InChIKey
HHJTWTPUPVQKNA-NPKGTRIDSA-N
Chemical Structure
2D Structure
2D structure of D-glucosyl-beta-1,1'-D-erythro-sphingosine-d7
CAS: 2315262-29-2
CID: 172638596
Formula: C24H47NO7
MW: 468.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight468.7
XLogP33.7
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count18
Exact Mass468.37919006
Monoisotopic Mass468.37919006
Topological Polar Surface Area146 Ų
Heavy Atom Count32
Formal Charge0
Complexity479
Isotope Atom Count7
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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