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C6-NBD Sphinganine

CAT: 0804-HY-141576-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-141576-01Size:1 mg
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Description
C6-NBD Sphinganine is a sphinganine analog and can be used as fluorescent dye for labeling fatty acid[1].
CAS Number
114301-97-2
Product Name Alternative
DhCerC6NBD
UNSPSC
12171500
Target
Fluorescent Dye
Type
Dye Reagents
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/c6-nbd-sphinganine.html
Purity
99.0
Solubility
DMSO : 20 mg/mL (ultrasonic; warming)
Smiles
CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO)NC(CCCCCNC1=CC=C([N+]([O-])=O)C2=NON=C12)=O
Molecular Formula
C30H51N5O6
Molecular Weight
577.76
References & Citations
[1]Landoni M, et al. UV-MALDI mass spectrometry analysis of NBD-glycosphingolipids without an external matrix. J Am Soc Mass Spectrom. 2008 Jul;19 (7) :923-6.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C (Powder, sealed storage, away from moisture and light)
Scientific Category
Dye Reagents
Clinical Information
No Development Reported

Chemical Information

C6-NBD Sphinganine
CAS Number114301-97-2
PubChem CID71311691
IUPAC NameN-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]-6-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]hexanamide
Molecular FormulaC30H51N5O6
Molecular Weight577.8
XLogP7.8
Topological Polar Surface Area166
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count24
Heavy Atom Count41
Formal Charge0
Complexity697
SMILES
CCCCCCCCCCCCCCC[C@H]([C@H](CO)NC(=O)CCCCCNC1=CC=C(C2=NON=C12)[N+](=O)[O-])O
InChI
InChI=1S/C30H51N5O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-27(37)25(23-36)32-28(38)19-16-14-17-22-31-24-20-21-26(35(39)40)30-29(24)33-41-34-30/h20-21,25,27,31,36-37H,2-19,22-23H2,1H3,(H,32,38)/t25-,27+/m0/s1
InChIKey
GEZLBJRDZRUTOE-AHKZPQOWSA-N
Chemical Structure
2D Structure
2D structure of C6-NBD Sphinganine
CAS: 114301-97-2
CID: 71311691
Formula: C30H51N5O6
MW: 577.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight577.8
XLogP37.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count24
Exact Mass577.38393436
Monoisotopic Mass577.38393436
Topological Polar Surface Area166 Ų
Heavy Atom Count41
Formal Charge0
Complexity697
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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