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NBD-sphinganine

CAT: 0013-GTR19305458-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19305458-02Size:10 mg
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Description
NBD-sphinganine is a fluorescent substrate for CerS, used to assess CerS activity.
CAS Number
1246303-03-6
Molecular Weight
479.62
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(2s,3r)-2-Amino-18-((7-nitrobenzo[c][1,2,5]oxadiazol-4-yl)amino)octadecane-1,3-diol
CAS Number1246303-03-6
PubChem CID125343007
IUPAC Name(2S,3R)-2-amino-18-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]octadecane-1,3-diol
Molecular FormulaC24H41N5O5
Molecular Weight479.6
XLogP5.7
Topological Polar Surface Area163
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count19
Heavy Atom Count34
Formal Charge0
Complexity538
SMILES
C1=C(C2=NON=C2C(=C1)[N+](=O)[O-])NCCCCCCCCCCCCCCC[C@H]([C@H](CO)N)O
InChI
InChI=1S/C24H41N5O5/c25-19(18-30)22(31)14-12-10-8-6-4-2-1-3-5-7-9-11-13-17-26-20-15-16-21(29(32)33)24-23(20)27-34-28-24/h15-16,19,22,26,30-31H,1-14,17-18,25H2/t19-,22+/m0/s1
InChIKey
MNLPTJIGMKIWMK-SIKLNZKXSA-N
Chemical Structure
2D Structure
2D structure of (2s,3r)-2-Amino-18-((7-nitrobenzo[c][1,2,5]oxadiazol-4-yl)amino)octadecane-1,3-diol
CAS: 1246303-03-6
CID: 125343007
Formula: C24H41N5O5
MW: 479.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight479.6
XLogP35.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count19
Exact Mass479.31076943
Monoisotopic Mass479.31076943
Topological Polar Surface Area163 Ų
Heavy Atom Count34
Formal Charge0
Complexity538
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