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C6 NBD Lactosylceramide

CAT: 0931-T85990-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T85990-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
474943-04-9
Target
Others
Related Pathways
Others
Bioactivity
C6 NBD Lactosylceramide, a derivative of lactosylceramides, is used in lactosylceramide synthase assays as a fluorescent acceptor substrate and can also be applied in cancer research [1] [2].
Smiles
N(CCCCCC(N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@@H](/C=C/CCCCCCCCCCCCC)O)=O)C=3C=4C(C(N(=O)=O)=CC3)=NON4
Molecular Formula
C42H69N5O16
Molecular Weight
900.02
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

C6 NBD-Sphingosine, beta-D-lactosyl
CAS Number474943-04-9
PubChem CID131879591
IUPAC NameN-[(E,2S,3R)-1-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxyoctadec-4-en-2-yl]-6-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]hexanamide
Molecular FormulaC42H69N5O16
Molecular Weight900.0
XLogP3.6
Topological Polar Surface Area325
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count19
Rotatable Bond Count29
Heavy Atom Count63
Formal Charge0
Complexity1320
SMILES
CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)NC(=O)CCCCCNC3=CC=C(C4=NON=C34)[N+](=O)[O-])O
InChI
InChI=1S/C42H69N5O16/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-29(50)27(44-32(51)19-16-14-17-22-43-26-20-21-28(47(57)58)34-33(26)45-63-46-34)25-59-41-39(56)37(54)40(31(24-49)61-41)62-42-38(55)36(53)35(52)30(23-48)60-42/h15,18,20-21,27,29-31,35-43,48-50,52-56H,2-14,16-17,19,22-25H2,1H3,(H,44,51)/b18-15+/t27-,29+,30+,31+,35-,36-,37+,38+,39+,40+,41+,42-/m0/s1
InChIKey
YITXFMQKMNZYOB-PVXRLSOKSA-N
Chemical Structure
2D Structure
2D structure of C6 NBD-Sphingosine, beta-D-lactosyl
CAS: 474943-04-9
CID: 131879591
Formula: C42H69N5O16
MW: 900.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight900.0
XLogP33.6
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count19
Rotatable Bond Count29
Exact Mass899.47393113
Monoisotopic Mass899.47393113
Topological Polar Surface Area325 Ų
Heavy Atom Count63
Formal Charge0
Complexity1320
Isotope Atom Count0
Defined Atom Stereocenter Count12
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
OL16325-01Lactosylceramide
1107NF-V6019Cdw17,Lactosylceramide
453515-01Lactosylceramide, Bovine
900146Lactosylceramide (LacCer)
900146KHLactosylceramide-KLH
900146BALactosylceramide-BSA
MBS393496-01N-Heptadecanoyl-lactosylceramide
GTR19345581-01C12 NBD Lactosylceramide
HY-154921ALactosylceramide (porcine RBC)
OAAD00051-200UGCDW17, LACTOSYLCERAMIDE Antibody

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