Products for Research Use Only

C12 NBD Galactosylceramide

CAT: 0931-T82801-01Size: 5 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T82801-01Size:5 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
474942-98-8
Target
Others
Related Pathways
Others
Bioactivity
C12 NBD Galactosylceramide, a fluorescent dye-labeled variant of galactosylceramide, possesses a C12 nitrobenzoxadiazole (C12 NBD) moiety that enables fluorescence. This compound serves as a tool in imaging research [1].
Smiles
N(CCCCCCCCCCCC(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
C42H71N5O11
Molecular Weight
822.04
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

C12 NBD Galactosylceramide
CAS Number474942-98-8
PubChem CID131879588
IUPAC NameN-[(E,2S,3R)-3-hydroxy-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadec-4-en-2-yl]-12-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]dodecanamide
Molecular FormulaC42H71N5O11
Molecular Weight822.0
XLogP9
Topological Polar Surface Area245
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count14
Rotatable Bond Count32
Heavy Atom Count58
Formal Charge0
Complexity1120
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)CCCCCCCCCCCNC2=CC=C(C3=NON=C23)[N+](=O)[O-])O
InChI
InChI=1S/C42H71N5O11/c1-2-3-4-5-6-7-8-9-10-12-15-18-21-24-34(49)32(30-56-42-41(53)40(52)39(51)35(29-48)57-42)44-36(50)25-22-19-16-13-11-14-17-20-23-28-43-31-26-27-33(47(54)55)38-37(31)45-58-46-38/h21,24,26-27,32,34-35,39-43,48-49,51-53H,2-20,22-23,25,28-30H2,1H3,(H,44,50)/b24-21+/t32-,34+,35+,39-,40-,41+,42+/m0/s1
InChIKey
OCDSLZRKFZYMMN-VKVPAIOESA-N
Chemical Structure
2D Structure
2D structure of C12 NBD Galactosylceramide
CAS: 474942-98-8
CID: 131879588
Formula: C42H71N5O11
MW: 822.0
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight822.0
XLogP39
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count14
Rotatable Bond Count32
Exact Mass821.51500810
Monoisotopic Mass821.51500810
Topological Polar Surface Area245 Ų
Heavy Atom Count58
Formal Charge0
Complexity1120
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