dipotassium;5-[5-[[2-chloro-5-[(3R,4S,5S,6R)-6-ethyl-3,4,5-trimethyloxan-2-yl]phenyl]methyl]thiophen-2-yl]-2-fluoropyridine;(3R,4R,5S,6R)-2-[4-chloro-3-[[5-(6-fluoro-3-pyridinyl)thiophen-2-yl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol;iodomethane;iodide

C49H52Cl2F2I2K2N2O6S2 — CID 159123266

IUPACdipotassium;5-[5-[[2-chloro-5-[(3R,4S,5S,6R)-6-ethyl-3,4,5-trimethyloxan-2-yl]phenyl]methyl]thiophen-2-yl]-2-fluoropyridine;(3R,4R,5S,6R)-2-[4-chloro-3-[[5-(6-fluoro-3-pyridinyl)thiophen-2-yl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol;iodomethane;iodide
SMILESCC[C@H]1OC(c2ccc(Cl)c(Cc3ccc(-c4ccc(F)nc4)s3)c2)[C@H](C)[C@@H](C)[C@@H]1C.OC[C@H]1OC(c2ccc(Cl)c(Cc3ccc(-c4ccc(F)nc4)s3)c2)[C@H](O)[C@@H](O)[C@@H]1O.[CH2-]I.[I-].[K+].[K+]
InChIInChI=1S/C26H29ClFNOS.C22H21ClFNO5S.CH2I.HI.2K/c1-5-23-16(3)15(2)17(4)26(30-23)18-6-9-22(27)20(12-18)13-21-8-10-24(31-21)19-7-11-25(28)29-14-19;23-15-4-1-11(22-21(29)20(28)19(27)16(10-26)30-22)7-13(15)8-14-3-5-17(31-14)12-2-6-18(24)25-9-12;1-2;;;/h6-12,14-17,23,26H,5,13H2,1-4H3;1-7,9,16,19-22,26-29H,8,10H2;1H2;1H;;/q;;-1;;2*+1/p-1/t15-,16-,17+,23+,26?;16-,19-,20+,21-,22?;;;;/m01..../s1
InChIKeyFJCFCJIBZSVIIU-ZPDFLPDUSA-M
MW1270.00 g/mol
LogP2.88
Rot. Bonds10

About dipotassium;5-[5-[[2-chloro-5-[(3R,4S,5S,6R)-6-ethyl-3,4,5-trimethyloxan-2-yl]phenyl]methyl]thiophen-2-yl]-2-fluoropyridine;(3R,4R,5S,6R)-2-[4-chloro-3-[[5-(6-fluoro-3-pyridinyl)thiophen-2-yl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol;iodomethane;iodide

dipotassium;5-[5-[[2-chloro-5-[(3R,4S,5S,6R)-6-ethyl-3,4,5-trimethyloxan-2-yl]phenyl]methyl]thiophen-2-yl]-2-fluoropyridine;(3R,4R,5S,6R)-2-[4-chloro-3-[[5-(6-fluoro-3-pyridinyl)thiophen-2-yl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol;iodomethane;iodide (PubChem CID 159123266) has the molecular formula C49H52Cl2F2I2K2N2O6S2 and a molecular weight of 1270.00 g/mol. Its IUPAC name is dipotassium;5-[5-[[2-chloro-5-[(3R,4S,5S,6R)-6-ethyl-3,4,5-trimethyloxan-2-yl]phenyl]methyl]thiophen-2-yl]-2-fluoropyridine;(3R,4R,5S,6R)-2-[4-chloro-3-[[5-(6-fluoro-3-pyridinyl)thiophen-2-yl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol;iodomethane;iodide.

Molecular Properties

Compound Namedipotassium;5-[5-[[2-chloro-5-[(3R,4S,5S,6R)-6-ethyl-3,4,5-trimethyloxan-2-yl]phenyl]methyl]thiophen-2-yl]-2-fluoropyridine;(3R,4R,5S,6R)-2-[4-chloro-3-[[5-(6-fluoro-3-pyridinyl)thiophen-2-yl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol;iodomethane;iodide
PubChem CID159123266
Molecular FormulaC49H52Cl2F2I2K2N2O6S2
Molecular Weight1270.00 g/mol
Exact Mass1268.00
IUPAC Namedipotassium;5-[5-[[2-chloro-5-[(3R,4S,5S,6R)-6-ethyl-3,4,5-trimethyloxan-2-yl]phenyl]methyl]thiophen-2-yl]-2-fluoropyridine;(3R,4R,5S,6R)-2-[4-chloro-3-[[5-(6-fluoro-3-pyridinyl)thiophen-2-yl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol;iodomethane;iodide
SMILESCC[C@H]1OC(c2ccc(Cl)c(Cc3ccc(-c4ccc(F)nc4)s3)c2)[C@H](C)[C@@H](C)[C@@H]1C.OC[C@H]1OC(c2ccc(Cl)c(Cc3ccc(-c4ccc(F)nc4)s3)c2)[C@H](O)[C@@H](O)[C@@H]1O.[CH2-]I.[I-].[K+].[K+]
InChIInChI=1S/C26H29ClFNOS.C22H21ClFNO5S.CH2I.HI.2K/c1-5-23-16(3)15(2)17(4)26(30-23)18-6-9-22(27)20(12-18)13-21-8-10-24(31-21)19-7-11-25(28)29-14-19;23-15-4-1-11(22-21(29)20(28)19(27)16(10-26)30-22)7-13(15)8-14-3-5-17(31-14)12-2-6-18(24)25-9-12;1-2;;;/h6-12,14-17,23,26H,5,13H2,1-4H3;1-7,9,16,19-22,26-29H,8,10H2;1H2;1H;;/q;;-1;;2*+1/p-1/t15-,16-,17+,23+,26?;16-,19-,20+,21-,22?;;;;/m01..../s1
InChIKeyFJCFCJIBZSVIIU-ZPDFLPDUSA-M
XLogP2.88
TPSA125.16 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms67
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5001270.00
LogP ≤ 52.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze dipotassium;5-[5-[[2-chloro-5-[(3R,4S,5S,6R)-6-ethyl-3,4,5-trimethyloxan-2-yl]phenyl]methyl]thiophen-2-yl]-2-fluoropyridine;(3R,4R,5S,6R)-2-[4-chloro-3-[[5-(6-fluoro-3-pyridinyl)thiophen-2-yl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol;iodomethane;iodide with MolForge

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Related Compounds

5-[5-[[2-chloro-5-[(2R,3R,4S,5S,6R)-6-ethyl-3,4,5-trimethyloxan-2-yl]phenyl]methyl]thiophen-2-yl]-2-fluoropyridine
CID 58224009
(3R,5S)-2-[4-chloro-3-[(5-pyrimidin-2-ylthiophen-2-yl)methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 66620067
4-[5-[[2-chloro-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]methyl]thiophen-2-yl]benzamide
CID 66607236
(2S,3R,5R)-2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 169435610
(2S,3S,4S,5R,6R)-2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 124604763
(2S,3R,5S)-2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 70971378
(2S,4R,5S,6R)-2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 66576978
2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol;hydrate
CID 77158882
2-(hydroxymethyl)-6-[3-[[5-(4-iodophenyl)thiophen-2-yl]methyl]-4-methylphenyl]oxane-3,4,5-triol
CID 130316119
(2R,3S,4S,5R)-2-ethyl-6-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]-3,4,5-trimethyloxane
CID 58224010
(2S,3R,5S)-2-[4-chloro-3-[[5-(6-fluoro-3-pyridinyl)thiophen-2-yl]methyl]phenyl]-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 163864974
(2S,3R,4R,5S,6R)-2-[3-[[5-(6-fluoro-2-pyridinyl)thiophen-2-yl]methyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 11201648

Frequently Asked Questions

What is the IUPAC name of dipotassium;5-[5-[[2-chloro-5-[(3R,4S,5S,6R)-6-ethyl-3,4,5-trimethyloxan-2-yl]phenyl]methyl]thiophen-2-yl]-2-fluoropyridine;(3R,4R,5S,6R)-2-[4-chloro-3-[[5-(6-fluoro-3-pyridinyl)thiophen-2-yl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol;iodomethane;iodide?
The IUPAC name of dipotassium;5-[5-[[2-chloro-5-[(3R,4S,5S,6R)-6-ethyl-3,4,5-trimethyloxan-2-yl]phenyl]methyl]thiophen-2-yl]-2-fluoropyridine;(3R,4R,5S,6R)-2-[4-chloro-3-[[5-(6-fluoro-3-pyridinyl)thiophen-2-yl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol;iodomethane;iodide (CID 159123266) is dipotassium;5-[5-[[2-chloro-5-[(3R,4S,5S,6R)-6-ethyl-3,4,5-trimethyloxan-2-yl]phenyl]methyl]thiophen-2-yl]-2-fluoropyridine;(3R,4R,5S,6R)-2-[4-chloro-3-[[5-(6-fluoro-3-pyridinyl)thiophen-2-yl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol;iodomethane;iodide.
What is the SMILES notation for dipotassium;5-[5-[[2-chloro-5-[(3R,4S,5S,6R)-6-ethyl-3,4,5-trimethyloxan-2-yl]phenyl]methyl]thiophen-2-yl]-2-fluoropyridine;(3R,4R,5S,6R)-2-[4-chloro-3-[[5-(6-fluoro-3-pyridinyl)thiophen-2-yl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol;iodomethane;iodide?
The canonical SMILES for dipotassium;5-[5-[[2-chloro-5-[(3R,4S,5S,6R)-6-ethyl-3,4,5-trimethyloxan-2-yl]phenyl]methyl]thiophen-2-yl]-2-fluoropyridine;(3R,4R,5S,6R)-2-[4-chloro-3-[[5-(6-fluoro-3-pyridinyl)thiophen-2-yl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol;iodomethane;iodide is CC[C@H]1OC(c2ccc(Cl)c(Cc3ccc(-c4ccc(F)nc4)s3)c2)[C@H](C)[C@@H](C)[C@@H]1C.OC[C@H]1OC(c2ccc(Cl)c(Cc3ccc(-c4ccc(F)nc4)s3)c2)[C@H](O)[C@@H](O)[C@@H]1O.[CH2-]I.[I-].[K+].[K+].
What is the InChIKey of dipotassium;5-[5-[[2-chloro-5-[(3R,4S,5S,6R)-6-ethyl-3,4,5-trimethyloxan-2-yl]phenyl]methyl]thiophen-2-yl]-2-fluoropyridine;(3R,4R,5S,6R)-2-[4-chloro-3-[[5-(6-fluoro-3-pyridinyl)thiophen-2-yl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol;iodomethane;iodide?
The InChIKey is FJCFCJIBZSVIIU-ZPDFLPDUSA-M. The full InChI is InChI=1S/C26H29ClFNOS.C22H21ClFNO5S.CH2I.HI.2K/c1-5-23-16(3)15(2)17(4)26(30-23)18-6-9-22(27)20(12-18)13-21-8-10-24(31-21)19-7-11-25(28)29-14-19;23-15-4-1-11(22-21(29)20(28)19(27)16(10-26)30-22)7-13(15)8-14-3-5-17(31-14)12-2-6-18(24)25-9-12;1-2;;;/h6-12,14-17,23,26H,5,13H2,1-4H3;1-7,9,16,19-22,26-29H,8,10H2;1H2;1H;;/q;;-1;;2*+1/p-1/t15-,16-,17+,23+,26?;16-,19-,20+,21-,22?;;;;/m01..../s1.
What are the key properties of dipotassium;5-[5-[[2-chloro-5-[(3R,4S,5S,6R)-6-ethyl-3,4,5-trimethyloxan-2-yl]phenyl]methyl]thiophen-2-yl]-2-fluoropyridine;(3R,4R,5S,6R)-2-[4-chloro-3-[[5-(6-fluoro-3-pyridinyl)thiophen-2-yl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol;iodomethane;iodide?
dipotassium;5-[5-[[2-chloro-5-[(3R,4S,5S,6R)-6-ethyl-3,4,5-trimethyloxan-2-yl]phenyl]methyl]thiophen-2-yl]-2-fluoropyridine;(3R,4R,5S,6R)-2-[4-chloro-3-[[5-(6-fluoro-3-pyridinyl)thiophen-2-yl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol;iodomethane;iodide has a molecular weight of 1270.00 g/mol, XLogP of 2.88, 10 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;5-[5-[[2-chloro-5-[(3R,4S,5S,6R)-6-ethyl-3,4,5-trimethyloxan-2-yl]phenyl]methyl]thiophen-2-yl]-2-fluoropyridine;(3R,4R,5S,6R)-2-[4-chloro-3-[[5-(6-fluoro-3-pyridinyl)thiophen-2-yl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol;iodomethane;iodide is sourced from PubChem (CID 159123266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).