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189060-31-9 | 6-Heptenoic acid, 7-[4-(4-fluorophenyl)-6-[(1S)-2-hydroxy-1-methylethyl]-5-(methoxymethyl)-2-(1-methylethyl)-3-pyridinyl]-3,5-dihydroxy-, sodium salt (1:1), (3R,5S,6E)-
CAS No: 189060-31-9 Catalog No: AG002HSO MDL No:
Product Description
Catalog Number:
AG002HSO
Chemical Name:
6-Heptenoic acid, 7-[4-(4-fluorophenyl)-6-[(1S)-2-hydroxy-1-methylethyl]-5-(methoxymethyl)-2-(1-methylethyl)-3-pyridinyl]-3,5-dihydroxy-, sodium salt (1:1), (3R,5S,6E)-
CAS Number:
189060-31-9
IUPAC Name:
sodium;(E,3R,5S)-7-[4-(4-fluorophenyl)-6-[(2S)-1-hydroxypropan-2-yl]-5-(methoxymethyl)-2-propan-2-ylpyridin-3-yl]-3,5-dihydroxyhept-6-enoate
InChI:
InChI=1S/C26H34FNO6.Na/c1-15(2)25-21(10-9-19(30)11-20(31)12-23(32)33)24(17-5-7-18(27)8-6-17)22(14-34-4)26(28-25)16(3)13-29;/h5-10,15-16,19-20,29-31H,11-14H2,1-4H3,(H,32,33);/q;+1/p-1/b10-9+;/t16-,19-,20-;/m1./s1
InChI Key:
KXWIMFNOEPAPDJ-ZZDRRHRHSA-M
Properties
Complexity:
645
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
1
Exact Mass:
497.219g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
497.539g/mol
Monoisotopic Mass:
497.219g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
123A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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