Name: C6 NBD Lactosylceramide
Rating: 5 (10 reviews)

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HIT ID:HIT212730910
Cas No:474943-04-9
常用名:C6 NBD Lactosylceramide
别名:N-Hexanoyl-NBD-lactosylceramide, NBD Lactosylceramide (d18:1/6:0), NBD LacCer(d18:1/6:0), C6 NBD LacCer
别名:N-Hexanoyl-NBD-lactosylceramide, NBD Lactosylceramide (d18:1/6:0), NBD LacCer(d18:1/6:0), C6 NBD LacCer
IUPAC:N-[(2S,3R,4E)-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]oxy}oxan-2-yl]oxy}-3-hydroxyoctadec-4-en-2-yl]-6-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]hexanamide
IUPAC:N-[(2S,3R,4E)-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]oxy}oxan-2-yl]oxy}-3-hydroxyoctadec-4-en-2-yl]-6-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]hexanamide
InChI key:YITXFMQKMNZYOB-PVXRLSOKSA-N

分子式:C42H69N5O16
分子量:900.033
氢键供体数 (HBD):10
氢键受体数 (HBA):18
LogP:2.6959264
SMILES:CCCCCCCCCCCCC\C=C\[C@@H](O)[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)NC(=O)CCCCCNc1ccc([N+]([O-])=O)c2nonc12
SMILES:CCCCCCCCCCCCC\C=C\[C@@H](O)[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)NC(=O)CCCCCNc1ccc([N+]([O-])=O)c2nonc12

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