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124863-85-0 | 6-Heptenoic acid, 7-[5-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]-4-(4-fluorophenyl)-2,6-bis(1-methylethyl)-3-pyridinyl]-5-hydroxy-3-oxo-, methyl ester, (E)- (9CI)
CAS No: 124863-85-0 Catalog No: AG000MTT MDL No:
Product Description
Catalog Number:
AG000MTT
Chemical Name:
6-Heptenoic acid, 7-[5-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]-4-(4-fluorophenyl)-2,6-bis(1-methylethyl)-3-pyridinyl]-5-hydroxy-3-oxo-, methyl ester, (E)- (9CI)
CAS Number:
124863-85-0
Molecular Formula:
C32H46FNO5Si
Molecular Weight:
571.7952
IUPAC Name:
methyl (E)-7-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(4-fluorophenyl)-2,6-di(propan-2-yl)pyridin-3-yl]-5-hydroxy-3-oxohept-6-enoate
InChI:
InChI=1S/C32H46FNO5Si/c1-20(2)30-26(16-15-24(35)17-25(36)18-28(37)38-8)29(22-11-13-23(33)14-12-22)27(31(34-30)21(3)4)19-39-40(9,10)32(5,6)7/h11-16,20-21,24,35H,17-19H2,1-10H3/b16-15+
InChI Key:
NEALNHCVMFMQTQ-FOCLMDBBSA-N
SMILES:
COC(=O)CC(=O)CC(/C=C/c1c(nc(c(c1c1ccc(cc1)F)CO[Si](C(C)(C)C)(C)C)C(C)C)C(C)C)O
Properties
Complexity:
847
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
571.313g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
571.805g/mol
Monoisotopic Mass:
571.313g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
85.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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