((2R,3R,5R)-5-(5-((E)-3-(6-(3',6'-BIS(DIMETHYLAMINO)-3-OXO-3H-SPIRO[ISOBENZOFURAN-1,9'-XANTHENE]-5-YLCARBOXAMIDO)HEXANAMIDO)PROP-1-ENYL)-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)-3-HYDROXYTETRAHYDROFURAN-2-YL)METHYL TETRAHYDROGEN TRIPHOSPHATE

pro_cas
pro_cdbregno
CCD01292551
pro_formula
C43 H51 N6 O19 P3
pro_molWeight
1048.82

basic_info

Product_Name: ((2R,3R,5R)-5-(5-((E)-3-(6-(3',6'-BIS(DIMETHYLAMINO)-3-OXO-3H-SPIRO[ISOBENZOFURAN-1,9'-XANTHENE]-5-YLCARBOXAMIDO)HEXANAMIDO)PROP-1-ENYL)-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)-3-HYDROXYTETRAHYDROFURAN-2-YL)METHYL TETRAHYDROGEN TRIPHOSPHATE
EnglishSynonyms: ((2R,3R,5R)-5-(5-((E)-3-(6-(3',6'-BIS(DIMETHYLAMINO)-3-OXO-3H-SPIRO[ISOBENZOFURAN-1,9'-XANTHENE]-5-YLCARBOXAMIDO)HEXANAMIDO)PROP-1-ENYL)-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)-3-HYDROXYTETRAHYDROFURAN-2-YL)METHYL TETRAHYDROGEN TRIPHOSPHATE ; (2R,3R,5R)-5-(5-((E)-3-(6-(3',6'-BIS(DIMETHYLAMINO)-3-OXO-3H-SPIRO[ISOBENZOFURAN-1,9'-XANTHENE]-5-YLCARBOXAMIDO)HEXANAMIDO)PROP-1-ENYL)-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)-3-HYDROXYTETRAHYDROFURAN
pro_mdlNumber: MFCD11870834
pro_acceptors: 25
pro_donors: 8
pro_smile: CN(C)c1ccc2c(c1)Oc3cc(ccc3C24c5ccc(cc5C(=O)O4)C(=O)NCCCCCC(=O)NC/C=C/c6cn(c(=O)[nH]c6=O)[C@H]7C[C@H]([C@H](O7)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N(C)C
InChi: InChI=1S/C43H51N6O19P3/c1-47(2)27-12-15-31-34(20-27)64-35-21-28(48(3)4)13-16-32(35)43(31)30-14-11-25(19-29(30)41(54)66-43)39(52)45-17-7-5-6-10-37(51)44-18-8-9-26-23-49(42(55)46-40(26)53)38-22-33(50)36(65-38)24-63-70(59,60)68-71(61,62)67-69(56,57)58/h8-9,11-16,19-21,23,33,36,38,50H,5-7,10,17-18,22,24H2,1-4H3,(H,44,51)(H,45,52)(H,59,60)(H,61,62)(H,46,53,55)(H2,56,57,58)/b9-8+/t33-,36-,38-/m1/s1
InChiKey: InChIKey=QHFFZCRHZAPBGZ-SGMNRNLVSA-N

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