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C6 NBD Glucosylceramide

CAT: 0931-T78462-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T78462-01Size:1 mg
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CAS Number
94885-03-7
Target
Others
Related Pathways
Others
Bioactivity
C6 NBD Glucosylceramide, a fluorescent derivative of glucosylceramide (Ex=466 nm, Em=535 nm), is utilized to investigate glucosylceramide metabolism and internalization, as well as to assess glucosylceramide synthase activity [1] [2] [3].
Smiles
N(CCCCCC(N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H](/C=C/CCCCCCCCCCCCC)O)=O)C=2C=3C(C(N(=O)=O)=CC2)=NON3
Molecular Formula
C36H59N5O11
Molecular Weight
737.88
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

C6 NBD Glucosylceramide
CAS Number94885-03-7
PubChem CID131864285
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]-6-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]hexanamide
Molecular FormulaC36H59N5O11
Molecular Weight737.9
XLogP5.7
Topological Polar Surface Area245
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count14
Rotatable Bond Count26
Heavy Atom Count52
Formal Charge0
Complexity1020
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)CCCCCNC2=CC=C(C3=NON=C23)[N+](=O)[O-])O
InChI
InChI=1S/C36H59N5O11/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-28(43)26(24-50-36-35(47)34(46)33(45)29(23-42)51-36)38-30(44)19-16-14-17-22-37-25-20-21-27(41(48)49)32-31(25)39-52-40-32/h15,18,20-21,26,28-29,33-37,42-43,45-47H,2-14,16-17,19,22-24H2,1H3,(H,38,44)/b18-15+/t26-,28+,29+,33+,34-,35+,36+/m0/s1
InChIKey
ZYEQNDHFYIPTAY-YAIFWNLCSA-N
Chemical Structure
2D Structure
2D structure of C6 NBD Glucosylceramide
CAS: 94885-03-7
CID: 131864285
Formula: C36H59N5O11
MW: 737.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight737.9
XLogP35.7
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count14
Rotatable Bond Count26
Exact Mass737.42110772
Monoisotopic Mass737.42110772
Topological Polar Surface Area245 Ų
Heavy Atom Count52
Formal Charge0
Complexity1020
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