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

pro_cas
pro_cdbregno
CCD00620596
pro_formula
C54 H93 O30 P3
pro_molWeight
1315.22

basic_info

Product_Name: 1,2,6-TRI-O-BUTYRYL-MYO-INOSITOL 3,4,5-TRISPHOSPHATE-HEXAKIS(PIVALOYLOXYMETHYL) ESTER
EnglishSynonyms: BT3-INS (3,4,5)P3/POM ; BT3-INS (1,5,6)P3/POM ; 2,3,4-TRI-O-BUTYRYL-MYO-INOSITOL 1,5,6-TRISPHOSPHATE-HEXAKIS(PIVALOYLOXYMETHYL) ESTER ; 1,2,6-TRI-O-BUTYRYL-MYO-INOSITOL 3,4,5-TRISPHOSPHATE-HEXAKIS(PIVALOYLOXYMETHYL) ESTER
pro_mdlNumber: MFCD08061869
pro_acceptors: 30
pro_donors: 0
pro_smile: CCCC(=O)O[C@@H]1[C@H]([C@@H]([C@H]([C@@H]([C@@H]1OC(=O)CCC)OP(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C)OP(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C)OP(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C)OC(=O)CCC
InChi: InChI=1S/C54H93O30P3/c1-22-25-34(55)79-37-38(80-35(56)26-23-2)40(82-85(64,73-28-67-43(58)49(4,5)6)74-29-68-44(59)50(7,8)9)42(84-87(66,77-32-71-47(62)53(16,17)18)78-33-72-48(63)54(19,20)21)41(39(37)81-36(57)27-24-3)83-86(65,75-30-69-45(60)51(10,11)12)76-31-70-46(61)52(13,14)15/h37-42H,22-33H2,1-21H3/t37-,38-,39-,40+,41-,42-/m1/s1
InChiKey: InChIKey=UGMDMQDJCGQRQC-REHCWOSQSA-N

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