About [amino(4,4,5,5,5-pentafluoropentylsulfanyl)methylidene]azanium;[(13S,17S)-3-hydroxy-13-methyl-7-(9-methylsulfonyloxynonyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate;[(13S,17S)-3-hydroxy-13-methyl-7-[9-(4,4,5,5,5-pentafluoropentylsulfanyl)nonyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate;4-methylbenzenesulfonate;[(13S,17S)-13-methyl-7-(9-methylsulfonyloxynonyl)-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate;(7R,13S,17S)-13-methyl-7-[9-(4,4,5,5,5-pentafluoropentylsulfinyl)nonyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol;4,4,5,5,5-pentafluoropentan-1-ol;4,4,5,5,5-pentafluoropentyl 4-methylbenzenesulfonate
[amino(4,4,5,5,5-pentafluoropentylsulfanyl)methylidene]azanium;[(13S,17S)-3-hydroxy-13-methyl-7-(9-methylsulfonyloxynonyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate;[(13S,17S)-3-hydroxy-13-methyl-7-[9-(4,4,5,5,5-pentafluoropentylsulfanyl)nonyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate;4-methylbenzenesulfonate;[(13S,17S)-13-methyl-7-(9-methylsulfonyloxynonyl)-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate;(7R,13S,17S)-13-methyl-7-[9-(4,4,5,5,5-pentafluoropentylsulfinyl)nonyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol;4,4,5,5,5-pentafluoropentan-1-ol;4,4,5,5,5-pentafluoropentyl 4-methylbenzenesulfonate (PubChem CID 157369009) has the molecular formula C156H227F25N2O25S7
and a molecular weight of 3229.94 g/mol. Its IUPAC name is [amino(4,4,5,5,5-pentafluoropentylsulfanyl)methylidene]azanium;[(13S,17S)-3-hydroxy-13-methyl-7-(9-methylsulfonyloxynonyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate;[(13S,17S)-3-hydroxy-13-methyl-7-[9-(4,4,5,5,5-pentafluoropentylsulfanyl)nonyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate;4-methylbenzenesulfonate;[(13S,17S)-13-methyl-7-(9-methylsulfonyloxynonyl)-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate;(7R,13S,17S)-13-methyl-7-[9-(4,4,5,5,5-pentafluoropentylsulfinyl)nonyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol;4,4,5,5,5-pentafluoropentan-1-ol;4,4,5,5,5-pentafluoropentyl 4-methylbenzenesulfonate.
Frequently Asked Questions
What is the IUPAC name of [amino(4,4,5,5,5-pentafluoropentylsulfanyl)methylidene]azanium;[(13S,17S)-3-hydroxy-13-methyl-7-(9-methylsulfonyloxynonyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate;[(13S,17S)-3-hydroxy-13-methyl-7-[9-(4,4,5,5,5-pentafluoropentylsulfanyl)nonyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate;4-methylbenzenesulfonate;[(13S,17S)-13-methyl-7-(9-methylsulfonyloxynonyl)-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate;(7R,13S,17S)-13-methyl-7-[9-(4,4,5,5,5-pentafluoropentylsulfinyl)nonyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol;4,4,5,5,5-pentafluoropentan-1-ol;4,4,5,5,5-pentafluoropentyl 4-methylbenzenesulfonate?
The IUPAC name of [amino(4,4,5,5,5-pentafluoropentylsulfanyl)methylidene]azanium;[(13S,17S)-3-hydroxy-13-methyl-7-(9-methylsulfonyloxynonyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate;[(13S,17S)-3-hydroxy-13-methyl-7-[9-(4,4,5,5,5-pentafluoropentylsulfanyl)nonyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate;4-methylbenzenesulfonate;[(13S,17S)-13-methyl-7-(9-methylsulfonyloxynonyl)-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate;(7R,13S,17S)-13-methyl-7-[9-(4,4,5,5,5-pentafluoropentylsulfinyl)nonyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol;4,4,5,5,5-pentafluoropentan-1-ol;4,4,5,5,5-pentafluoropentyl 4-methylbenzenesulfonate (CID 157369009) is [amino(4,4,5,5,5-pentafluoropentylsulfanyl)methylidene]azanium;[(13S,17S)-3-hydroxy-13-methyl-7-(9-methylsulfonyloxynonyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate;[(13S,17S)-3-hydroxy-13-methyl-7-[9-(4,4,5,5,5-pentafluoropentylsulfanyl)nonyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate;4-methylbenzenesulfonate;[(13S,17S)-13-methyl-7-(9-methylsulfonyloxynonyl)-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate;(7R,13S,17S)-13-methyl-7-[9-(4,4,5,5,5-pentafluoropentylsulfinyl)nonyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol;4,4,5,5,5-pentafluoropentan-1-ol;4,4,5,5,5-pentafluoropentyl 4-methylbenzenesulfonate.
What is the SMILES notation for [amino(4,4,5,5,5-pentafluoropentylsulfanyl)methylidene]azanium;[(13S,17S)-3-hydroxy-13-methyl-7-(9-methylsulfonyloxynonyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate;[(13S,17S)-3-hydroxy-13-methyl-7-[9-(4,4,5,5,5-pentafluoropentylsulfanyl)nonyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate;4-methylbenzenesulfonate;[(13S,17S)-13-methyl-7-(9-methylsulfonyloxynonyl)-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate;(7R,13S,17S)-13-methyl-7-[9-(4,4,5,5,5-pentafluoropentylsulfinyl)nonyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol;4,4,5,5,5-pentafluoropentan-1-ol;4,4,5,5,5-pentafluoropentyl 4-methylbenzenesulfonate?
The canonical SMILES for [amino(4,4,5,5,5-pentafluoropentylsulfanyl)methylidene]azanium;[(13S,17S)-3-hydroxy-13-methyl-7-(9-methylsulfonyloxynonyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate;[(13S,17S)-3-hydroxy-13-methyl-7-[9-(4,4,5,5,5-pentafluoropentylsulfanyl)nonyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate;4-methylbenzenesulfonate;[(13S,17S)-13-methyl-7-(9-methylsulfonyloxynonyl)-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate;(7R,13S,17S)-13-methyl-7-[9-(4,4,5,5,5-pentafluoropentylsulfinyl)nonyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol;4,4,5,5,5-pentafluoropentan-1-ol;4,4,5,5,5-pentafluoropentyl 4-methylbenzenesulfonate is CC(=O)O[C@H]1CCC2C3C(CCCCCCCCCOS(C)(=O)=O)CC4=CC(=O)CCC4C3CC[C@@]21C.CC(=O)O[C@H]1CCC2C3C(CCCCCCCCCOS(C)(=O)=O)Cc4cc(O)ccc4C3CC[C@@]21C.CC(=O)O[C@H]1CCC2C3C(CCCCCCCCCSCCCC(F)(F)C(F)(F)F)Cc4cc(O)ccc4C3CC[C@@]21C.C[C@]12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CC[C@@H]2O.Cc1ccc(S(=O)(=O)OCCCC(F)(F)C(F)(F)F)cc1.Cc1ccc(S(=O)(=O)[O-])cc1.NC(=[NH2+])SCCCC(F)(F)C(F)(F)F.OCCCC(F)(F)C(F)(F)F.
What is the InChIKey of [amino(4,4,5,5,5-pentafluoropentylsulfanyl)methylidene]azanium;[(13S,17S)-3-hydroxy-13-methyl-7-(9-methylsulfonyloxynonyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate;[(13S,17S)-3-hydroxy-13-methyl-7-[9-(4,4,5,5,5-pentafluoropentylsulfanyl)nonyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate;4-methylbenzenesulfonate;[(13S,17S)-13-methyl-7-(9-methylsulfonyloxynonyl)-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate;(7R,13S,17S)-13-methyl-7-[9-(4,4,5,5,5-pentafluoropentylsulfinyl)nonyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol;4,4,5,5,5-pentafluoropentan-1-ol;4,4,5,5,5-pentafluoropentyl 4-methylbenzenesulfonate?
The InChIKey is OEGCMRSVVDCVCK-DEEKVNEXSA-N. The full InChI is InChI=1S/C34H49F5O3S.C32H47F5O3S.C30H48O6S.C30H46O6S.C12H13F5O3S.C7H8O3S.C6H9F5N2S.C5H7F5O/c1-23(40)42-30-15-14-29-31-24(21-25-22-26(41)12-13-27(25)28(31)16-18-32(29,30)2)11-8-6-4-3-5-7-9-19-43-20-10-17-33(35,36)34(37,38)39;1-30-17-15-26-25-12-11-24(38)21-23(25)20-22(29(26)27(30)13-14-28(30)39)10-7-5-3-2-4-6-8-18-41(40)19-9-16-31(33,34)32(35,36)37;2*1-21(31)36-28-15-14-27-29-22(11-9-7-5-4-6-8-10-18-35-37(3,33)34)19-23-20-24(32)12-13-25(23)26(29)16-17-30(27,28)2;1-9-3-5-10(6-4-9)21(18,19)20-8-2-7-11(13,14)12(15,16)17;1-6-2-4-7(5-3-6)11(8,9)10;7-5(8,6(9,10)11)2-1-3-14-4(12)13;6-4(7,2-1-3-11)5(8,9)10/h12-13,22,24,28-31,41H,3-11,14-21H2,1-2H3;11-12,21-22,26-29,38-39H,2-10,13-20H2,1H3;20,22,25-29H,4-19H2,1-3H3;12-13,20,22,26-29,32H,4-11,14-19H2,1-3H3;3-6H,2,7-8H2,1H3;2-5H,1H3,(H,8,9,10);1-3H2,(H3,12,13);11H,1-3H2/t24?,28?,29?,30-,31?,32-;22?,26?,27?,28-,29?,30-,41?;22?,25?,26?,27?,28-,29?,30-;22?,26?,27?,28-,29?,30-;;;;/m0000..../s1.
What are the key properties of [amino(4,4,5,5,5-pentafluoropentylsulfanyl)methylidene]azanium;[(13S,17S)-3-hydroxy-13-methyl-7-(9-methylsulfonyloxynonyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate;[(13S,17S)-3-hydroxy-13-methyl-7-[9-(4,4,5,5,5-pentafluoropentylsulfanyl)nonyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate;4-methylbenzenesulfonate;[(13S,17S)-13-methyl-7-(9-methylsulfonyloxynonyl)-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate;(7R,13S,17S)-13-methyl-7-[9-(4,4,5,5,5-pentafluoropentylsulfinyl)nonyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol;4,4,5,5,5-pentafluoropentan-1-ol;4,4,5,5,5-pentafluoropentyl 4-methylbenzenesulfonate?
[amino(4,4,5,5,5-pentafluoropentylsulfanyl)methylidene]azanium;[(13S,17S)-3-hydroxy-13-methyl-7-(9-methylsulfonyloxynonyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate;[(13S,17S)-3-hydroxy-13-methyl-7-[9-(4,4,5,5,5-pentafluoropentylsulfanyl)nonyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate;4-methylbenzenesulfonate;[(13S,17S)-13-methyl-7-(9-methylsulfonyloxynonyl)-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate;(7R,13S,17S)-13-methyl-7-[9-(4,4,5,5,5-pentafluoropentylsulfinyl)nonyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol;4,4,5,5,5-pentafluoropentan-1-ol;4,4,5,5,5-pentafluoropentyl 4-methylbenzenesulfonate has a molecular weight of 3229.94 g/mol, XLogP of 39.11, 67 rotatable bonds, 7 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for [amino(4,4,5,5,5-pentafluoropentylsulfanyl)methylidene]azanium;[(13S,17S)-3-hydroxy-13-methyl-7-(9-methylsulfonyloxynonyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate;[(13S,17S)-3-hydroxy-13-methyl-7-[9-(4,4,5,5,5-pentafluoropentylsulfanyl)nonyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate;4-methylbenzenesulfonate;[(13S,17S)-13-methyl-7-(9-methylsulfonyloxynonyl)-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate;(7R,13S,17S)-13-methyl-7-[9-(4,4,5,5,5-pentafluoropentylsulfinyl)nonyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol;4,4,5,5,5-pentafluoropentan-1-ol;4,4,5,5,5-pentafluoropentyl 4-methylbenzenesulfonate is sourced from PubChem (CID 157369009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).