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C12 NBD Lactosylceramide

CAT: 0931-T85983-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T85983-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
474943-06-1
Target
Others
Related Pathways
Others
Bioactivity
C12 NBD Lactosylceramide, a derivative of Lactosylceramide labeled with a C12 NBD fluorescent group, can be used to identify Lactosylceramides [1].
Smiles
N(CCCCCCCCCCCC(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
C48H81N5O16
Molecular Weight
984.18
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

C12 Nbd-sphingosine, beta-D-lactosyl
CAS Number474943-06-1
PubChem CID131864284
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]-12-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]dodecanamide
Molecular FormulaC48H81N5O16
Molecular Weight984.2
XLogP6.8
Topological Polar Surface Area325
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count19
Rotatable Bond Count35
Heavy Atom Count69
Formal Charge0
Complexity1420
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)CCCCCCCCCCCNC3=CC=C(C4=NON=C34)[N+](=O)[O-])O
InChI
InChI=1S/C48H81N5O16/c1-2-3-4-5-6-7-8-9-10-12-15-18-21-24-35(56)33(31-65-47-45(62)43(60)46(37(30-55)67-47)68-48-44(61)42(59)41(58)36(29-54)66-48)50-38(57)25-22-19-16-13-11-14-17-20-23-28-49-32-26-27-34(53(63)64)40-39(32)51-69-52-40/h21,24,26-27,33,35-37,41-49,54-56,58-62H,2-20,22-23,25,28-31H2,1H3,(H,50,57)/b24-21+/t33-,35+,36+,37+,41-,42-,43+,44+,45+,46+,47+,48-/m0/s1
InChIKey
BMEDTTDNSALUFC-OXMKHARGSA-N
Chemical Structure
2D Structure
2D structure of C12 Nbd-sphingosine, beta-D-lactosyl
CAS: 474943-06-1
CID: 131864284
Formula: C48H81N5O16
MW: 984.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight984.2
XLogP36.8
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count19
Rotatable Bond Count35
Exact Mass983.56783151
Monoisotopic Mass983.56783151
Topological Polar Surface Area325 Ų
Heavy Atom Count69
Formal Charge0
Complexity1420
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
453515-01Lactosylceramide, Bovine
1107NF-V6019Cdw17,Lactosylceramide
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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