7,9-Diboc Idn 5390
FEATURES
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NAMES
  • 7,9-Diboc Idn 5390
SMILES
CC(=O)O[C@@]1([C@@H]2/C(C)=C(/OC(=O)OC(C)(C)C)C(=O)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)C[C@@](O)([C@H]2OC(=O)c2ccccc2)C3(C)C)CO[C@@H]1CCOC(=O)OC(C)(C)C
InChI
InChI=1S/C51H73NO18/c1-27(2)24-32(52-43(58)68-46(6,7)8)37(54)42(57)64-33-25-51(61)40(66-41(56)31-20-18-17-19-21-31)36(50(67-30(5)53)26-63-34(50)22-23-62-44(59)69-47(9,10)11)29(4)39(65-45(60)70-48(12,13)14)38(55)35(28(33)3)49(51,15)16/h17-21,27,32-34,36-37,40,54,61H,22-26H2,1-16H3,(H,52,58)/b39-29+/t32-,33-,34+,36+,37+,40-,50-,51+/m0/s1
MOLECULAR FORMULA
C51H73NO18
CROSS REFERENCES
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7,9-Diboc Idn 5390
Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight987.48
AlogP7.37
HBond donors3
HBond acceptors19
Atoms143
Contains toxicophoreYes
Contains PAINSNo
Commercially availableUnknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by 7,9-Diboc Idn 5390.