5,6-DI-O-BUTYRYL-MYO-INOSITOL 1,2,3,4-TETRAKISPHOSPHATE-OCTAKIS(ACETOXYMETHYL) ESTER

pro_cas
pro_cdbregno
CCD00621004
pro_formula
C38 H60 O36 P4
pro_molWeight
1216.75

basic_info

Product_Name: 5,6-DI-O-BUTYRYL-MYO-INOSITOL 1,2,3,4-TETRAKISPHOSPHATE-OCTAKIS(ACETOXYMETHYL) ESTER
EnglishSynonyms: 5,6-DI-O-BUTYRYL-MYO-INOSITOL 1,2,3,4-TETRAKISPHOSPHATE-OCTAKIS(ACETOXYMETHYL) ESTER ; BT2-INS(1,2,3,4)P4 / AM
pro_mdlNumber: MFCD08062302
pro_acceptors: 36
pro_donors: 0
pro_smile: CCCC(=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H]([C@@H]1OP(=O)(OCOC(=O)C)OCOC(=O)C)OP(=O)(OCOC(=O)C)OCOC(=O)C)OP(=O)(OCOC(=O)C)OCOC(=O)C)OC(=O)CCC)OP(=O)(OCOC(=O)C)OCOC(=O)C
InChi: InChI=1S/C38H60O36P4/c1-11-13-31(47)69-33-35(71-75(49,61-15-53-23(3)39)62-16-54-24(4)40)34(70-32(48)14-12-2)37(73-77(51,65-19-57-27(7)43)66-20-58-28(8)44)38(74-78(52,67-21-59-29(9)45)68-22-60-30(10)46)36(33)72-76(50,63-17-55-25(5)41)64-18-56-26(6)42/h33-38H,11-22H2,1-10H3/t33-,34+,35-,36+,37-,38+
InChiKey: InChIKey=ROCQTYZHQNNUIJ-QUXWCIEXSA-N

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