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beta-D-Glucosyl C4-Ceramide

CAT: 0572-TRC-G596810-1MGSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-G596810-1MGSize:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
111956-45-7
Synonyms
β-D-Glucosyl C4-Ceramide; [R-[R*,S*-(E)]]-N-[1-[(β-D-Glucopyranosyloxy)methyl]-2-hydroxy-3-heptadecenyl]butanamide
Hazard Statement
No Data Available
Smiles
CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)CCC
Molecular Formula
C28 H53 N O8
Molecular Weight
531.72
InChI
InChI=1S/C28H53NO8/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18-22(31)21(29-24(32)17-4-2)20-36-28-27(35)26(34)25(33)23(19-30)37-28/h16,18,21-23,25-28,30-31,33-35H,3-15,17,19-20H2,1-2H3,(H,29,32)/b18-16+/t21-,22+,23+,25+,26-,27+,28+/m0/s1
Additionnal Information
IUPAC name: N-[(E,1S,2R)-2-hydroxy-1-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]heptadec-3-enyl]butanamide
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

b-D-Glucosyl C4-Ceramide
CAS Number111956-45-7
PubChem CID71317100
IUPAC NameN-[(E,2S,3R)-3-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadec-4-en-2-yl]butanamide
Molecular FormulaC28H53NO8
Molecular Weight531.7
XLogP4.8
Topological Polar Surface Area149
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count21
Heavy Atom Count37
Formal Charge0
Complexity605
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)NC(=O)CCC)O
InChI
InChI=1S/C28H53NO8/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18-22(31)21(29-24(32)17-4-2)20-36-28-27(35)26(34)25(33)23(19-30)37-28/h16,18,21-23,25-28,30-31,33-35H,3-15,17,19-20H2,1-2H3,(H,29,32)/b18-16+/t21-,22+,23+,25+,26-,27+,28+/m0/s1
InChIKey
VSVGCPKEFVFBTE-HAJHVBEFSA-N
Chemical Structure
2D Structure
2D structure of b-D-Glucosyl C4-Ceramide
CAS: 111956-45-7
CID: 71317100
Formula: C28H53NO8
MW: 531.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight531.7
XLogP34.8
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count21
Exact Mass531.37711765
Monoisotopic Mass531.37711765
Topological Polar Surface Area149 Ų
Heavy Atom Count37
Formal Charge0
Complexity605
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

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Alternative Products

CatalogName
MBS6023874-01beta-D-Glucosyl C4-Ceramide
012838β-D-Glucosyl C4-Ceramide
293604-01B-D-Glucosyl C4-ceramide
HY-146760S-01C15 Glucosyl (β) ceramide-d7
HY-146906SC18 Glucosyl (ß) ceramide-d5
KQD67013C18 Glucosyl (β) ceramide-d5
CS-O-56861C18 Glucosyl (ß) Ceramide-d5
KQD67016C18:1 Glucosyl ceramide-d5
C2777-72C4 Ceramide (N-Butyl-D-sphingosine, Butyl Ceramide, N-Butanoyl-D-erythro-sphingosine)
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