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HIT212667188
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HIT212667188
  • HIT ID:HIT212667188
  • Cas No:273221-67-3
  • 常用名:Fluo-4 AM
  • IUPAC:(acetyloxy)methyl 2-[(4-{6-[(acetyloxy)methoxy]-2,7-difluoro-3-oxo-3H-xanthen-9-yl}-2-(2-{2-[bis({2-[(acetyloxy)methoxy]-2-oxoethyl})amino]-5-methylphenoxy}ethoxy)phenyl)({2-[(acetyloxy)methoxy]-2-oxoethyl})amino]acetate
    IUPAC:(acetyloxy)methyl 2-[(4-{6-[(acetyloxy)methoxy]-2,7-difluoro-3-oxo-3H-xanthen-9-yl}-2-(2-{2-[bis({2-[(acetyloxy)methoxy]-2-oxoethyl})amino]-5-methylphenoxy}ethoxy)phenyl)({2-[(acetyloxy)methoxy]-2-oxoethyl})amino]acetate
  • InChI key:QOMNQGZXFYNBNG-UHFFFAOYSA-N
  • 分子式:C51H50F2N2O23
  • 分子量:1096.949
  • 氢键供体数 (HBD):0
  • 氢键受体数 (HBA):16
  • LogP:3.8604708
  • SMILES:CC(=O)OCOC(=O)CN(CC(=O)OCOC(C)=O)c1ccc(C)cc1OCCOc1cc(ccc1N(CC(=O)OCOC(C)=O)CC(=O)OCOC(C)=O)-c1c2cc(F)c(OCOC(C)=O)cc2oc2cc(=O)c(F)cc12
    SMILES:CC(=O)OCOC(=O)CN(CC(=O)OCOC(C)=O)c1ccc(C)cc1OCCOc1cc(ccc1N(CC(=O)OCOC(C)=O)CC(=O)OCOC(C)=O)-c1c2cc(F)c(OCOC(C)=O)cc2oc2cc(=O)c(F)cc12
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