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Home > Fluorides > 129332-29-2
129332-29-2 | 6-Heptenoic acid, 7-[3-(4-fluorophenyl)-1-(1-methylethyl)-1H-indol-2-yl]-3,5-dihydroxy-, 1,1-dimethylethyl ester, (3R,5S,6E)-rel-
CAS No: 129332-29-2 Catalog No: AG000Z3B MDL No:MFCD08460211
Product Description
Catalog Number:
AG000Z3B
Chemical Name:
6-Heptenoic acid, 7-[3-(4-fluorophenyl)-1-(1-methylethyl)-1H-indol-2-yl]-3,5-dihydroxy-, 1,1-dimethylethyl ester, (3R,5S,6E)-rel-
CAS Number:
129332-29-2
Molecular Formula:
C28H34FNO4
Molecular Weight:
467.5723
MDL Number:
MFCD08460211
IUPAC Name:
tert-butyl (E)-7-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]-3,5-dihydroxyhept-6-enoate
InChI:
InChI=1S/C28H34FNO4/c1-18(2)30-24-9-7-6-8-23(24)27(19-10-12-20(29)13-11-19)25(30)15-14-21(31)16-22(32)17-26(33)34-28(3,4)5/h6-15,18,21-22,31-32H,16-17H2,1-5H3/b15-14+
InChI Key:
USGKHYXJISAYPE-CCEZHUSRSA-N
SMILES:
O[C@@H](CC(=O)OC(C)(C)C)C[C@@H](/C=C/c1c(c2ccc(cc2)F)c2c(n1C(C)C)cccc2)O
EC Number:
603-330-9
Properties
Complexity:
682
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
467.247g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
467.581g/mol
Monoisotopic Mass:
467.247g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
71.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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