Name: BDP TMR PI(3)P diammonium
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT220773941
Cas No:
常用名:BDP TMR PI(3)P diammonium
IUPAC:diammonium hydrogen 2,2-difluoro-4-(4-methoxyphenyl)-10,12-dimethyl-11-{2-[(6-{[(2R)-1-[(9Z)-octadec-9-enoyloxy]-3-{[(1S,2R,3S,4S,5R,6R)-2,3,4,6-tetrahydroxy-5-(phosphonatooxy)cyclohexyl phosphonato]oxy}propan-2-yl]oxy}-6-oxohexyl)carbamoyl]ethyl}-1lambda5,3-diaza-2-boratricyclo[7.3.0.0^{3,7}]dodeca-1(12),4,6,8,10-pentaen-1-ylium-2-uide
IUPAC:diammonium hydrogen 2,2-difluoro-4-(4-methoxyphenyl)-10,12-dimethyl-11-{2-[(6-{[(2R)-1-[(9Z)-octadec-9-enoyloxy]-3-{[(1S,2R,3S,4S,5R,6R)-2,3,4,6-tetrahydroxy-5-(phosphonatooxy)cyclohexyl phosphonato]oxy}propan-2-yl]oxy}-6-oxohexyl)carbamoyl]ethyl}-1lambda5,3-diaza-2-boratricyclo[7.3.0.0^{3,7}]dodeca-1(12),4,6,8,10-pentaen-1-ylium-2-uide
InChI key:InChIKey=QXPREQQAOYPATJ-MNXIGGDFSA-N

分子式:C54H88BF2N5O18P2
分子量:1206.07
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H+].[NH4+].[NH4+].CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP([O-])(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](OP([O-])([O-])=O)[C@H]1O)OC(=O)CCCCCNC(=O)CCC1=C(C)C2=Cc3ccc(-c4ccc(OC)cc4)n3[B-](F)(F)[N+]2=C1C
SMILES:[H+].[NH4+].[NH4+].CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP([O-])(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](OP([O-])([O-])=O)[C@H]1O)OC(=O)CCCCCNC(=O)CCC1=C(C)C2=Cc3ccc(-c4ccc(OC)cc4)n3[B-](F)(F)[N+]2=C1C

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