N-((2S,3R,E)-1-(((2R,3R,4R,5S,6R)-3,4-Dihydroxy-6-(hydroxymethyl)-5-(((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-3-hydroxyoctadec-4-en-2-yl)-12-((7-nitrobenzo[c][1,2,5]oxadiazol-4-yl)amino

Catalog No. :: ACHNPU973
CAS No. :: 474943-06-1
Molecular Formula :: C48H81N5O16
Molecular Weight :: 984.20

IUPAC Name:N-((2S,3R,E)-1-(((2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-(((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-3-hydroxyoctadec-4-en-2-yl)-12-((7-nitrobenzo[c][1,2,5]oxadiazol-4-yl)amino)dodecanamide

N-((2S,3R,E)-1-(((2R,3R,4R,5S,6R)-3,4-Dihydroxy-6-(hydroxymethyl)-5-(((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-3-hydroxyoctadec-4-en-2-yl)-12-((7-nitrobenzo[c][1,2,5]oxadiazol-4-yl)amino structure diagram

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Product Information

Product Name	N-((2S,3R,E)-1-(((2R,3R,4R,5S,6R)-3,4-Dihydroxy-6-(hydroxymethyl)-5-(((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-3-hydroxyoctadec-4-en-2-yl)-12-((7-nitrobenzo[c][1,2,5]oxadiazol-4-yl)amino
IUPAC Name	N-((2S,3R,E)-1-(((2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-(((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-3-hydroxyoctadec-4-en-2-yl)-12-((7-nitrobenzo[c][1,2,5]oxadiazol-4-yl)amino)dodecanamide
Molecular Formula	C48H81N5O16
Molecular Weight	984.20
SMILES	O=C(N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O[C@H]2[C@@H]([C@H]([C@H]([C@@H](CO)O2)O)O)O)O)O)[C@H](O)/C=C/CCCCCCCCCCCCC)CCCCCCCCCCCNC3=CC=C([N+]([O-])=O)C4=NON=C43
InChI Key	BMEDTTDNSALUFC-OXMKHARGSA-N
Synonym	474943-06-1 \| C12 NBD Lactosylceramide \| C12 NBD-SPHINGOSINE, BETA-D-LACTOSYL \| N-[(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-
CAS No.	474943-06-1
PubChem CID	131864284

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ACHNPU973474943-06-1

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ACHNPU973474943-06-1

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N-((2S,3R,E)-1-(((2R,3R,4R,5S,6R)-3,4-Dihydroxy-6-(hydroxymethyl)-5-(((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-3-hydroxyoctadec-4-en-2-yl)-12-((7-nitrobenzo[c][1,2,5]oxadiazol-4-yl)amino

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1. ACHNPU973 Molecular Building Block Synthetic Route

2. ACHNPU973 Molecular Building Block Synthetic Route

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N-((2S,3R,E)-1-(((2R,3R,4R,5S,6R)-3,4-Dihydroxy-6-(hydroxymethyl)-5-(((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-3-hydroxyoctadec-4-en-2-yl)-12-((7-nitrobenzo[c][1,2,5]oxadiazol-4-yl)amino

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Synthetic Route by SureRoute

C12 NBD Globotriaosylceramide

N-((2S,3R,E)-1-(((2R,3R,4R,5S,6R)-3,4-Dihydroxy-6-(hydroxymethyl)-5-(((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-3-hydroxyoctadec-4-en-2-yl)-6-((7-nitrobenzo[c][1,2,5]oxadiazol-4-yl)amino)

N-((2S,3R,E)-3-Hydroxy-1-(((2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)octadec-4-en-2-yl)-6-((7-nitrobenzo[c][1,2,5]oxadiazol-4-yl)amino)hexanamide

N-((2S,3R,E)-3-Hydroxy-1-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)octadec-4-en-2-yl)-6-((7-nitrobenzo[c][1,2,5]oxadiazol-4-yl)amino)hexanamide

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