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

CAS No.
CCD No.
CCD00441489
Formula
C36 H57 O29 P3
MolWeight
1046.74

Basic Information

Product Name: 2,4,5-TRI-O-BUTYRYL-MYO-INOSITOL 1,3,6-TRISPHOSPHATE-HEXAKIS(ACETOXYMETHYL) ESTER
English Synonyms: 2,4,5-TRI-O-BUTYRYL-MYO-INOSITOL 1,3,6-TRISPHOSPHATE-HEXAKIS(ACETOXYMETHYL) ESTER ; BT3-INS(1,3,6)P3/AM
MDL Number.: MFCD04036994
H bond acceptor: 29
H bond donor: 0
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)OC(=O)CCC)OP(=O)(OCOC(=O)C)OCOC(=O)C)OP(=O)(OCC(=O)C)OCOC(=O)C)OC(=O)CCC
InChi: InChI=1S/C36H57O29P3/c1-10-13-28(43)60-31-32(61-29(44)14-11-2)35(64-66(46,54-16-22(4)37)55-17-49-23(5)38)36(65-68(48,58-20-52-26(8)41)59-21-53-27(9)42)33(62-30(45)15-12-3)34(31)63-67(47,56-18-50-24(6)39)57-19-51-25(7)40/h31-36H,10-21H2,1-9H3/t31-,32-,33+,34+,35+,36+,66?/m0/s1
InChiKey: InChIKey=RRQOOBYVOVARCL-VJEWXGLQSA-N

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