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201793-00-2 | 6-Heptenoic acid, 7-[4-(4-fluorophenyl)-5-(hydroxymethyl)-6-[(1S)-2-hydroxy-1-methylethyl]-2-(1-methylethyl)-3-pyridinyl]-3,5-dihydroxy-, sodium salt (1:1), (3R,5S,6E)-
CAS No: 201793-00-2 Catalog No: AG0027UB MDL No:
Product Description
Catalog Number:
AG0027UB
Chemical Name:
6-Heptenoic acid, 7-[4-(4-fluorophenyl)-5-(hydroxymethyl)-6-[(1S)-2-hydroxy-1-methylethyl]-2-(1-methylethyl)-3-pyridinyl]-3,5-dihydroxy-, sodium salt (1:1), (3R,5S,6E)-
CAS Number:
201793-00-2
IUPAC Name:
sodium;7-[4-(4-fluorophenyl)-5-(hydroxymethyl)-6-(1-hydroxypropan-2-yl)-2-propan-2-ylpyridin-3-yl]-3,5-dihydroxyhept-6-enoate
InChI:
InChI=1S/C25H32FNO6.Na/c1-14(2)24-20(9-8-18(30)10-19(31)11-22(32)33)23(16-4-6-17(26)7-5-16)21(13-29)25(27-24)15(3)12-28;/h4-9,14-15,18-19,28-31H,10-13H2,1-3H3,(H,32,33);/q;+1/p-1
InChI Key:
KFMSULPGROFJPL-UHFFFAOYSA-M
Properties
Complexity:
631
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
483.203g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
483.512g/mol
Monoisotopic Mass:
483.203g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
134A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
1
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