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147118-38-5 | 6-Heptenoic acid, 3-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-7-[4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]-5-oxo-, methyl ester, (3R,6E)-
CAS No: 147118-38-5 Catalog No: AG001EN0 MDL No:MFCD12756001
Product Description
Catalog Number:
AG001EN0
Chemical Name:
6-Heptenoic acid, 3-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-7-[4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]-5-oxo-, methyl ester, (3R,6E)-
CAS Number:
147118-38-5
Molecular Formula:
C29H42FN3O6SSi
Molecular Weight:
607.8092
MDL Number:
MFCD12756001
IUPAC Name:
methyl (E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-7-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-ylpyrimidin-5-yl]-5-oxohept-6-enoate
InChI:
InChI=1S/C29H42FN3O6SSi/c1-19(2)26-24(16-15-22(34)17-23(18-25(35)38-7)39-41(9,10)29(3,4)5)27(20-11-13-21(30)14-12-20)32-28(31-26)33(6)40(8,36)37/h11-16,19,23H,17-18H2,1-10H3/b16-15+/t23-/m1/s1
InChI Key:
MQGVAZIDAZIVGR-POICXBNUSA-N
SMILES:
COC(=O)C[C@H](O[Si](C(C)(C)C)(C)C)CC(=O)/C=C/c1c(nc(nc1c1ccc(cc1)F)N(S(=O)(=O)C)C)C(C)C
EC Number:
604-566-5
Properties
Complexity:
1020
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
1
Exact Mass:
607.255g/mol
Formal Charge:
0
Heavy Atom Count:
41
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
607.813g/mol
Monoisotopic Mass:
607.255g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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