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124863-86-1 | 6-Heptenoic acid, 7-[5-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]-4-(4-fluorophenyl)-2,6-bis(1-methylethyl)-3-pyridinyl]-3,5-dihydroxy-, methyl ester, (3R,5S,6E)-rel-
CAS No: 124863-86-1 Catalog No: AG000MTS MDL No:
Product Description
Catalog Number:
AG000MTS
Chemical Name:
6-Heptenoic acid, 7-[5-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]-4-(4-fluorophenyl)-2,6-bis(1-methylethyl)-3-pyridinyl]-3,5-dihydroxy-, methyl ester, (3R,5S,6E)-rel-
CAS Number:
124863-86-1
Molecular Formula:
C32H48FNO5Si
Molecular Weight:
573.8111
IUPAC Name:
methyl (E,3R,5S)-7-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(4-fluorophenyl)-2,6-di(propan-2-yl)pyridin-3-yl]-3,5-dihydroxyhept-6-enoate
InChI:
InChI=1S/C32H48FNO5Si/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/h11-16,20-21,24-25,35-36H,17-19H2,1-10H3/b16-15+/t24-,25-/m1/s1
InChI Key:
WCJUVVBQCXVFLK-MOCODALISA-N
SMILES:
COC(=O)C[C@@H](C[C@@H](/C=C/c1c(nc(c(c1c1ccc(cc1)F)CO[Si](C(C)(C)C)(C)C)C(C)C)C(C)C)O)O
Properties
Complexity:
806
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
1
Exact Mass:
573.329g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
573.821g/mol
Monoisotopic Mass:
573.329g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
88.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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