119699-81-9
6-O-METHYL-2',4''-BIS-O-(TRIMETHYLSILYL)ERYTHROMYCIN 9-[O-(1-ETHOXY-1-METHYLETHYL)OXIME]
Name6-O-METHYL-2',4''-BIS-O-(TRIMETHYLSILYL)ERYTHROMYCIN 9-[O-(1-ETHOXY-1-METHYLETHYL)OXIME]
FormulaC48 H94 N2 O14 Si2
1Identification
【Name】
6-O-METHYL-2',4''-BIS-O-(TRIMETHYLSILYL)ERYTHROMYCIN 9-[O-(1-ETHOXY-1-METHYLETHYL)OXIME]
【CAS】
【MDL】
MFCD09263748
【English Synonyms】
【Formula】
C48 H94 N2 O14 Si2
【MolWeight】
979.443
【Inchi】
InChI=1S/C48H94N2O14Si2/c1-24-35-48(12,53)40(51)30(4)37(49-64-45(8,9)54-15)28(2)26-46(10,55-16)41(61-44-39(62-65(18,19)20)34(50(13)14)25-29(3)57-44)31(5)38(32(6)43(52)59-35)60-36-27-47(11,56-17)42(33(7)58-36)63-66(21,22)23/h28-36,38-42,44,51,53H,24-27H2,1-23H3/b49-37+/t28-,29-,30+,31+,32-,33+,34+,35-,36+,38+,39-,40-,41-,42+,44+,46-,47-,48-/m1/s1
【InChIKey】
InChIKey=SGGANCFJEHZNCI-XEGNVXPOSA-N
【SMILES】
CC[C@@H]1[C@@]([C@@H]([C@H](/C(=N/OC(C)(C)OC)/[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O[Si](C)(C)C)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O[Si](C)(C)C)(C)OC)C)C)O)(C)O
【MOL File】
6-O-METHYL-2',4''-BI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:16
XLogP3:8.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
6-O-METHYL-2',4''-BIS-O-(TRIMETHYLSILYL)ERYTHROMYCIN 9-[O-(1-ETHOXY-1-METHYLETHYL)OXIME].cml