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Glucosyl-C18-sphingosine

CAT: 0572-TRC-G596840-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-G596840-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
52050-17-6
Synonyms
Glucosylsphingosine; 2-Amino-3-hydroxy-4-octadecenyl beta-D-Glucopyranoside; (2S,3R,4E)-2-Amino-3-hydroxy-4-octadecenyl beta-D-Glucopyranoside
Hazard Statement
No Data Available
Smiles
CCCCCCCCCCCCC\C=C\C(O)C(N)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Molecular Formula
C24H47NO7
Molecular Weight
461.63
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Glucosyl sphingosine

Beta-D-glucosylsphingosine is D-Glucosylsphingosine in which the anomeric configuration of the glucosyl moiety is beta. It is a beta-D-glucoside and a D-glucosylsphingosine. It is a conjugate base of a beta-D-glucosylsphingosine(1+).

CAS Number52050-17-6
PubChem CID5280570
IUPAC Name(2R,3R,4S,5S,6R)-2-[(E,2S,3R)-2-amino-3-hydroxyoctadec-4-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular FormulaC24H47NO7
Molecular Weight461.6
XLogP3.7
Topological Polar Surface Area146
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count18
Heavy Atom Count32
Formal Charge0
Complexity479
SMILES
CCCCCCCCCCCCC/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
InChIKey
HHJTWTPUPVQKNA-JIAPQYILSA-N
Chemical Structure
2D Structure
2D structure of Glucosyl sphingosine
CAS: 52050-17-6
CID: 5280570
Formula: C24H47NO7
MW: 461.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight461.6
XLogP33.7
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count18
Exact Mass461.33525284
Monoisotopic Mass461.33525284
Topological Polar Surface Area146 Ų
Heavy Atom Count32
Formal Charge0
Complexity479
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes