About S-[2-[[(2R,3R,4R,5R)-2-(azidomethyl)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-[2-(3-hydroxy-2,2-dimethylpropanoyl)sulfanylethoxy]phosphoryl]oxyethyl] 3-hydroxy-2,2-dimethylpropanethioate;S-[2-[[(2R,3R,4R,5R)-2-(azidomethyl)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-(2-tritiooxyethyl)oxolan-2-yl]methoxy-[2-(2,2-dimethylbutanoylsulfanyl)ethoxy]phosphoryl]oxyethyl] 2,2-dimethylbutanethioate;5-[(2R,3R,4R,5R)-5-(azidomethyl)-3-fluoro-5-(hydroxymethyl)-4-(2-tritiooxyethyl)oxolan-2-yl]-1,3,5-oxadiazinane-2,4-dione;N-dichlorophosphanyl-N-propan-2-ylpropan-2-amine;S-[2-[2-(2,2-dimethylbutanoylsulfanyl)ethoxy-[di(propan-2-yl)amino]phosphanyl]oxyethyl] 2,2-dimethylbutanethioate;S-(2-hydroxyethyl) 2,2-dimethylbutanethioate
S-[2-[[(2R,3R,4R,5R)-2-(azidomethyl)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-[2-(3-hydroxy-2,2-dimethylpropanoyl)sulfanylethoxy]phosphoryl]oxyethyl] 3-hydroxy-2,2-dimethylpropanethioate;S-[2-[[(2R,3R,4R,5R)-2-(azidomethyl)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-(2-tritiooxyethyl)oxolan-2-yl]methoxy-[2-(2,2-dimethylbutanoylsulfanyl)ethoxy]phosphoryl]oxyethyl] 2,2-dimethylbutanethioate;5-[(2R,3R,4R,5R)-5-(azidomethyl)-3-fluoro-5-(hydroxymethyl)-4-(2-tritiooxyethyl)oxolan-2-yl]-1,3,5-oxadiazinane-2,4-dione;N-dichlorophosphanyl-N-propan-2-ylpropan-2-amine;S-[2-[2-(2,2-dimethylbutanoylsulfanyl)ethoxy-[di(propan-2-yl)amino]phosphanyl]oxyethyl] 2,2-dimethylbutanethioate;S-(2-hydroxyethyl) 2,2-dimethylbutanethioate (PubChem CID 159278166) has the molecular formula C99H172Cl2F3N17O34P4S7
and a molecular weight of 2624.83 g/mol. Its IUPAC name is S-[2-[[(2R,3R,4R,5R)-2-(azidomethyl)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-[2-(3-hydroxy-2,2-dimethylpropanoyl)sulfanylethoxy]phosphoryl]oxyethyl] 3-hydroxy-2,2-dimethylpropanethioate;S-[2-[[(2R,3R,4R,5R)-2-(azidomethyl)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-(2-tritiooxyethyl)oxolan-2-yl]methoxy-[2-(2,2-dimethylbutanoylsulfanyl)ethoxy]phosphoryl]oxyethyl] 2,2-dimethylbutanethioate;5-[(2R,3R,4R,5R)-5-(azidomethyl)-3-fluoro-5-(hydroxymethyl)-4-(2-tritiooxyethyl)oxolan-2-yl]-1,3,5-oxadiazinane-2,4-dione;N-dichlorophosphanyl-N-propan-2-ylpropan-2-amine;S-[2-[2-(2,2-dimethylbutanoylsulfanyl)ethoxy-[di(propan-2-yl)amino]phosphanyl]oxyethyl] 2,2-dimethylbutanethioate;S-(2-hydroxyethyl) 2,2-dimethylbutanethioate.
Frequently Asked Questions
What is the IUPAC name of S-[2-[[(2R,3R,4R,5R)-2-(azidomethyl)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-[2-(3-hydroxy-2,2-dimethylpropanoyl)sulfanylethoxy]phosphoryl]oxyethyl] 3-hydroxy-2,2-dimethylpropanethioate;S-[2-[[(2R,3R,4R,5R)-2-(azidomethyl)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-(2-tritiooxyethyl)oxolan-2-yl]methoxy-[2-(2,2-dimethylbutanoylsulfanyl)ethoxy]phosphoryl]oxyethyl] 2,2-dimethylbutanethioate;5-[(2R,3R,4R,5R)-5-(azidomethyl)-3-fluoro-5-(hydroxymethyl)-4-(2-tritiooxyethyl)oxolan-2-yl]-1,3,5-oxadiazinane-2,4-dione;N-dichlorophosphanyl-N-propan-2-ylpropan-2-amine;S-[2-[2-(2,2-dimethylbutanoylsulfanyl)ethoxy-[di(propan-2-yl)amino]phosphanyl]oxyethyl] 2,2-dimethylbutanethioate;S-(2-hydroxyethyl) 2,2-dimethylbutanethioate?
The IUPAC name of S-[2-[[(2R,3R,4R,5R)-2-(azidomethyl)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-[2-(3-hydroxy-2,2-dimethylpropanoyl)sulfanylethoxy]phosphoryl]oxyethyl] 3-hydroxy-2,2-dimethylpropanethioate;S-[2-[[(2R,3R,4R,5R)-2-(azidomethyl)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-(2-tritiooxyethyl)oxolan-2-yl]methoxy-[2-(2,2-dimethylbutanoylsulfanyl)ethoxy]phosphoryl]oxyethyl] 2,2-dimethylbutanethioate;5-[(2R,3R,4R,5R)-5-(azidomethyl)-3-fluoro-5-(hydroxymethyl)-4-(2-tritiooxyethyl)oxolan-2-yl]-1,3,5-oxadiazinane-2,4-dione;N-dichlorophosphanyl-N-propan-2-ylpropan-2-amine;S-[2-[2-(2,2-dimethylbutanoylsulfanyl)ethoxy-[di(propan-2-yl)amino]phosphanyl]oxyethyl] 2,2-dimethylbutanethioate;S-(2-hydroxyethyl) 2,2-dimethylbutanethioate (CID 159278166) is S-[2-[[(2R,3R,4R,5R)-2-(azidomethyl)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-[2-(3-hydroxy-2,2-dimethylpropanoyl)sulfanylethoxy]phosphoryl]oxyethyl] 3-hydroxy-2,2-dimethylpropanethioate;S-[2-[[(2R,3R,4R,5R)-2-(azidomethyl)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-(2-tritiooxyethyl)oxolan-2-yl]methoxy-[2-(2,2-dimethylbutanoylsulfanyl)ethoxy]phosphoryl]oxyethyl] 2,2-dimethylbutanethioate;5-[(2R,3R,4R,5R)-5-(azidomethyl)-3-fluoro-5-(hydroxymethyl)-4-(2-tritiooxyethyl)oxolan-2-yl]-1,3,5-oxadiazinane-2,4-dione;N-dichlorophosphanyl-N-propan-2-ylpropan-2-amine;S-[2-[2-(2,2-dimethylbutanoylsulfanyl)ethoxy-[di(propan-2-yl)amino]phosphanyl]oxyethyl] 2,2-dimethylbutanethioate;S-(2-hydroxyethyl) 2,2-dimethylbutanethioate.
What is the SMILES notation for S-[2-[[(2R,3R,4R,5R)-2-(azidomethyl)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-[2-(3-hydroxy-2,2-dimethylpropanoyl)sulfanylethoxy]phosphoryl]oxyethyl] 3-hydroxy-2,2-dimethylpropanethioate;S-[2-[[(2R,3R,4R,5R)-2-(azidomethyl)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-(2-tritiooxyethyl)oxolan-2-yl]methoxy-[2-(2,2-dimethylbutanoylsulfanyl)ethoxy]phosphoryl]oxyethyl] 2,2-dimethylbutanethioate;5-[(2R,3R,4R,5R)-5-(azidomethyl)-3-fluoro-5-(hydroxymethyl)-4-(2-tritiooxyethyl)oxolan-2-yl]-1,3,5-oxadiazinane-2,4-dione;N-dichlorophosphanyl-N-propan-2-ylpropan-2-amine;S-[2-[2-(2,2-dimethylbutanoylsulfanyl)ethoxy-[di(propan-2-yl)amino]phosphanyl]oxyethyl] 2,2-dimethylbutanethioate;S-(2-hydroxyethyl) 2,2-dimethylbutanethioate?
The canonical SMILES for S-[2-[[(2R,3R,4R,5R)-2-(azidomethyl)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-[2-(3-hydroxy-2,2-dimethylpropanoyl)sulfanylethoxy]phosphoryl]oxyethyl] 3-hydroxy-2,2-dimethylpropanethioate;S-[2-[[(2R,3R,4R,5R)-2-(azidomethyl)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-(2-tritiooxyethyl)oxolan-2-yl]methoxy-[2-(2,2-dimethylbutanoylsulfanyl)ethoxy]phosphoryl]oxyethyl] 2,2-dimethylbutanethioate;5-[(2R,3R,4R,5R)-5-(azidomethyl)-3-fluoro-5-(hydroxymethyl)-4-(2-tritiooxyethyl)oxolan-2-yl]-1,3,5-oxadiazinane-2,4-dione;N-dichlorophosphanyl-N-propan-2-ylpropan-2-amine;S-[2-[2-(2,2-dimethylbutanoylsulfanyl)ethoxy-[di(propan-2-yl)amino]phosphanyl]oxyethyl] 2,2-dimethylbutanethioate;S-(2-hydroxyethyl) 2,2-dimethylbutanethioate is CC(C)(CO)C(=O)SCCOP(=O)(OCCSC(=O)C(C)(C)CO)OC[C@@]1(CN=[N+]=[N-])O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](F)[C@@H]1O.CC(C)N(C(C)C)P(Cl)Cl.CCC(C)(C)C(=O)SCCO.CCC(C)(C)C(=O)SCCOP(OCCSC(=O)C(C)(C)CC)N(C(C)C)C(C)C.[3H]OCC[C@H]1[C@@H](F)[C@H](N2COC(=O)NC2=O)O[C@@]1(CO)CN=[N+]=[N-].[3H]OCC[C@H]1[C@@H](F)[C@H](n2ccc(=O)[nH]c2=O)O[C@]1(CN=[N+]=[N-])COP(=O)(OCCSC(=O)C(C)(C)CC)OCCSC(=O)C(C)(C)CC.
What is the InChIKey of S-[2-[[(2R,3R,4R,5R)-2-(azidomethyl)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-[2-(3-hydroxy-2,2-dimethylpropanoyl)sulfanylethoxy]phosphoryl]oxyethyl] 3-hydroxy-2,2-dimethylpropanethioate;S-[2-[[(2R,3R,4R,5R)-2-(azidomethyl)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-(2-tritiooxyethyl)oxolan-2-yl]methoxy-[2-(2,2-dimethylbutanoylsulfanyl)ethoxy]phosphoryl]oxyethyl] 2,2-dimethylbutanethioate;5-[(2R,3R,4R,5R)-5-(azidomethyl)-3-fluoro-5-(hydroxymethyl)-4-(2-tritiooxyethyl)oxolan-2-yl]-1,3,5-oxadiazinane-2,4-dione;N-dichlorophosphanyl-N-propan-2-ylpropan-2-amine;S-[2-[2-(2,2-dimethylbutanoylsulfanyl)ethoxy-[di(propan-2-yl)amino]phosphanyl]oxyethyl] 2,2-dimethylbutanethioate;S-(2-hydroxyethyl) 2,2-dimethylbutanethioate?
The InChIKey is KYOPIKNKLNTRLU-KNUOCHSFSA-N. The full InChI is InChI=1S/C28H45FN5O10PS2.C24H37FN5O12PS2.C22H44NO4PS2.C11H16FN5O6.C8H16O2S.C6H14Cl2NP/c1-7-26(3,4)23(37)46-15-13-41-45(40,42-14-16-47-24(38)27(5,6)8-2)43-18-28(17-31-33-30)19(10-12-35)21(29)22(44-28)34-11-9-20(36)32-25(34)39;1-22(2,12-31)19(35)44-9-7-39-43(38,40-8-10-45-20(36)23(3,4)13-32)41-14-24(11-27-29-26)17(34)16(25)18(42-24)30-6-5-15(33)28-21(30)37;1-11-21(7,8)19(24)29-15-13-26-28(23(17(3)4)18(5)6)27-14-16-30-20(25)22(9,10)12-2;12-7-6(1-2-18)11(4-19,3-14-16-13)23-8(7)17-5-22-10(21)15-9(17)20;1-4-8(2,3)7(10)11-6-5-9;1-5(2)9(6(3)4)10(7)8/h9,11,19,21-22,35H,7-8,10,12-18H2,1-6H3,(H,32,36,39);5-6,16-18,31-32,34H,7-14H2,1-4H3,(H,28,33,37);17-18H,11-16H2,1-10H3;6-8,18-19H,1-5H2,(H,15,20,21);9H,4-6H2,1-3H3;5-6H,1-4H3/t19-,21+,22+,28+;16-,17+,18-,24-;;6-,7+,8+,11+;;/m01.0../s1/i35T;;;18T;;.
What are the key properties of S-[2-[[(2R,3R,4R,5R)-2-(azidomethyl)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-[2-(3-hydroxy-2,2-dimethylpropanoyl)sulfanylethoxy]phosphoryl]oxyethyl] 3-hydroxy-2,2-dimethylpropanethioate;S-[2-[[(2R,3R,4R,5R)-2-(azidomethyl)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-(2-tritiooxyethyl)oxolan-2-yl]methoxy-[2-(2,2-dimethylbutanoylsulfanyl)ethoxy]phosphoryl]oxyethyl] 2,2-dimethylbutanethioate;5-[(2R,3R,4R,5R)-5-(azidomethyl)-3-fluoro-5-(hydroxymethyl)-4-(2-tritiooxyethyl)oxolan-2-yl]-1,3,5-oxadiazinane-2,4-dione;N-dichlorophosphanyl-N-propan-2-ylpropan-2-amine;S-[2-[2-(2,2-dimethylbutanoylsulfanyl)ethoxy-[di(propan-2-yl)amino]phosphanyl]oxyethyl] 2,2-dimethylbutanethioate;S-(2-hydroxyethyl) 2,2-dimethylbutanethioate?
S-[2-[[(2R,3R,4R,5R)-2-(azidomethyl)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-[2-(3-hydroxy-2,2-dimethylpropanoyl)sulfanylethoxy]phosphoryl]oxyethyl] 3-hydroxy-2,2-dimethylpropanethioate;S-[2-[[(2R,3R,4R,5R)-2-(azidomethyl)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-(2-tritiooxyethyl)oxolan-2-yl]methoxy-[2-(2,2-dimethylbutanoylsulfanyl)ethoxy]phosphoryl]oxyethyl] 2,2-dimethylbutanethioate;5-[(2R,3R,4R,5R)-5-(azidomethyl)-3-fluoro-5-(hydroxymethyl)-4-(2-tritiooxyethyl)oxolan-2-yl]-1,3,5-oxadiazinane-2,4-dione;N-dichlorophosphanyl-N-propan-2-ylpropan-2-amine;S-[2-[2-(2,2-dimethylbutanoylsulfanyl)ethoxy-[di(propan-2-yl)amino]phosphanyl]oxyethyl] 2,2-dimethylbutanethioate;S-(2-hydroxyethyl) 2,2-dimethylbutanethioate has a molecular weight of 2624.83 g/mol, XLogP of 18.61, 68 rotatable bonds, 10 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for S-[2-[[(2R,3R,4R,5R)-2-(azidomethyl)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-[2-(3-hydroxy-2,2-dimethylpropanoyl)sulfanylethoxy]phosphoryl]oxyethyl] 3-hydroxy-2,2-dimethylpropanethioate;S-[2-[[(2R,3R,4R,5R)-2-(azidomethyl)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-(2-tritiooxyethyl)oxolan-2-yl]methoxy-[2-(2,2-dimethylbutanoylsulfanyl)ethoxy]phosphoryl]oxyethyl] 2,2-dimethylbutanethioate;5-[(2R,3R,4R,5R)-5-(azidomethyl)-3-fluoro-5-(hydroxymethyl)-4-(2-tritiooxyethyl)oxolan-2-yl]-1,3,5-oxadiazinane-2,4-dione;N-dichlorophosphanyl-N-propan-2-ylpropan-2-amine;S-[2-[2-(2,2-dimethylbutanoylsulfanyl)ethoxy-[di(propan-2-yl)amino]phosphanyl]oxyethyl] 2,2-dimethylbutanethioate;S-(2-hydroxyethyl) 2,2-dimethylbutanethioate is sourced from PubChem (CID 159278166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).