1,4,6-TRI-O-BUTYRYL-MYO-INOSITOL 2,3,5-TRISPHOSPHATE-HEXAKIS(PROPIONOXYMETHYL) ESTER

pro_cas
pro_cdbregno
CCD00620592
pro_formula
C42 H69 O30 P3
pro_molWeight
1146.9

basic_info

Product_Name: 1,4,6-TRI-O-BUTYRYL-MYO-INOSITOL 2,3,5-TRISPHOSPHATE-HEXAKIS(PROPIONOXYMETHYL) ESTER
EnglishSynonyms: BT3-INS (1,2,5)P3/PM ; BT3-INS (2,3,5)P3/PM ; 1,4,6-TRI-O-BUTYRYL-MYO-INOSITOL 2,3,5-TRISPHOSPHATE-HEXAKIS(PROPIONOXYMETHYL) ESTER ; 3,4,6-TRI-O-BUTYRYL-MYO-INOSITOL 1,2,5-TRISPHOSPHATE-HEXAKIS(PROPIONOXYMETHYL) ESTER
pro_mdlNumber: MFCD08061865
pro_acceptors: 30
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)CC)OCOC(=O)CC)OC(=O)CCC)OP(=O)(OCOC(=O)CC)OCOC(=O)CC)OP(=O)(OCOC(=O)CC)OCOC(=O)CC)OC(=O)CCC
InChi: InChI=1S/C42H69O30P3/c1-10-19-34(49)67-37-38(68-35(50)20-11-2)41(71-74(53,63-24-57-30(45)15-6)64-25-58-31(46)16-7)42(72-75(54,65-26-59-32(47)17-8)66-27-60-33(48)18-9)39(69-36(51)21-12-3)40(37)70-73(52,61-22-55-28(43)13-4)62-23-56-29(44)14-5/h37-42H,10-27H2,1-9H3/t37-,38-,39-,40+,41-,42+/m1/s1
InChiKey: InChIKey=GKQQUHPRJWGFQQ-HGECUWRWSA-N

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