C12-NBD-L-threo-sphingosine

Base Information

• Chemical Name: C12-NBD-L-threo-sphingosine
• CAS No.: 474943-08-3
• Molecular Formula: C36H61N5O6
• Molecular Weight: 659.9
• Mol file: 474943-08-3.mol

Synonyms:474943-08-3;N-((2R,3S,E)-1,3-Dihydroxyoctadec-4-en-2-yl)-12-((7-nitrobenzo[c][1,2,5]oxadiazol-4-yl)amino)dodecanamide;N-[(E,2R,3S)-1,3-Dihydroxyoctadec-4-en-2-yl]-12-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]dodecanamide;C12-NBD-L-threo-sphingosine;ZTA94308;N-[12-[(7-nitro-2-1,3-benzoxadiazol-4-yl)amino]dodecanoyl]-L-threo-sphingosine

Chemical Property of C12-NBD-L-threo-sphingosine

Chemical Property:

• PKA: 13.54±0.20(Predicted)
• XLogP3: 10.6
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 29
• Exact Mass: 659.46218468
• Heavy Atom Count: 47
• Complexity: 828

Purity/Quality:

99% ^*data from raw suppliers

N-[12-[(7-NITRO-2-1,3-BENZOXADIAZOL-4-YL)AMINO]DODECANOYL]-L-THREO-SPHINGOSINE 99.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CCCCCCCCCCCCCC=CC(C(CO)NC(=O)CCCCCCCCCCCNC1=CC=C(C2=NON=C12)[N+](=O)[O-])O
• Isomeric SMILES: CCCCCCCCCCCCC/C=C/[C@@H]([C@@H](CO)NC(=O)CCCCCCCCCCCNC1=CC=C(C2=NON=C12)[N+](=O)[O-])O

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