About sodium;bis((2R,3R,4S,5R)-5-(4-amino-2-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2-ethyl-4-fluorooxolan-3-ol);(2R,3R,4S,5R)-5-(4-amino-2-chloropyrrolo[2,3-d]pyrimidin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3S,4R,5R)-2-bromo-5-ethyl-3-fluoro-4-methyloxolane;tert-butyl-chloro-diphenylsilane;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-chloro-7-[(2R,3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine;2,4-dichloro-7-[(2R,3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]pyrrolo[2,3-d]pyrimidine;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;[(2R,3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl] benzoate;methanol;methanolate
sodium;bis((2R,3R,4S,5R)-5-(4-amino-2-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2-ethyl-4-fluorooxolan-3-ol);(2R,3R,4S,5R)-5-(4-amino-2-chloropyrrolo[2,3-d]pyrimidin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3S,4R,5R)-2-bromo-5-ethyl-3-fluoro-4-methyloxolane;tert-butyl-chloro-diphenylsilane;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-chloro-7-[(2R,3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine;2,4-dichloro-7-[(2R,3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]pyrrolo[2,3-d]pyrimidine;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;[(2R,3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl] benzoate;methanol;methanolate (PubChem CID 159200007) has the molecular formula C116H146BrCl9F7N22NaO20Si
and a molecular weight of 2751.62 g/mol. Its IUPAC name is sodium;bis((2R,3R,4S,5R)-5-(4-amino-2-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2-ethyl-4-fluorooxolan-3-ol);(2R,3R,4S,5R)-5-(4-amino-2-chloropyrrolo[2,3-d]pyrimidin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3S,4R,5R)-2-bromo-5-ethyl-3-fluoro-4-methyloxolane;tert-butyl-chloro-diphenylsilane;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-chloro-7-[(2R,3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine;2,4-dichloro-7-[(2R,3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]pyrrolo[2,3-d]pyrimidine;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;[(2R,3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl] benzoate;methanol;methanolate.
Frequently Asked Questions
What is the IUPAC name of sodium;bis((2R,3R,4S,5R)-5-(4-amino-2-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2-ethyl-4-fluorooxolan-3-ol);(2R,3R,4S,5R)-5-(4-amino-2-chloropyrrolo[2,3-d]pyrimidin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3S,4R,5R)-2-bromo-5-ethyl-3-fluoro-4-methyloxolane;tert-butyl-chloro-diphenylsilane;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-chloro-7-[(2R,3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine;2,4-dichloro-7-[(2R,3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]pyrrolo[2,3-d]pyrimidine;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;[(2R,3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl] benzoate;methanol;methanolate?
The IUPAC name of sodium;bis((2R,3R,4S,5R)-5-(4-amino-2-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2-ethyl-4-fluorooxolan-3-ol);(2R,3R,4S,5R)-5-(4-amino-2-chloropyrrolo[2,3-d]pyrimidin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3S,4R,5R)-2-bromo-5-ethyl-3-fluoro-4-methyloxolane;tert-butyl-chloro-diphenylsilane;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-chloro-7-[(2R,3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine;2,4-dichloro-7-[(2R,3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]pyrrolo[2,3-d]pyrimidine;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;[(2R,3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl] benzoate;methanol;methanolate (CID 159200007) is sodium;bis((2R,3R,4S,5R)-5-(4-amino-2-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2-ethyl-4-fluorooxolan-3-ol);(2R,3R,4S,5R)-5-(4-amino-2-chloropyrrolo[2,3-d]pyrimidin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3S,4R,5R)-2-bromo-5-ethyl-3-fluoro-4-methyloxolane;tert-butyl-chloro-diphenylsilane;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-chloro-7-[(2R,3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine;2,4-dichloro-7-[(2R,3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]pyrrolo[2,3-d]pyrimidine;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;[(2R,3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl] benzoate;methanol;methanolate.
What is the SMILES notation for sodium;bis((2R,3R,4S,5R)-5-(4-amino-2-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2-ethyl-4-fluorooxolan-3-ol);(2R,3R,4S,5R)-5-(4-amino-2-chloropyrrolo[2,3-d]pyrimidin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3S,4R,5R)-2-bromo-5-ethyl-3-fluoro-4-methyloxolane;tert-butyl-chloro-diphenylsilane;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-chloro-7-[(2R,3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine;2,4-dichloro-7-[(2R,3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]pyrrolo[2,3-d]pyrimidine;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;[(2R,3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl] benzoate;methanol;methanolate?
The canonical SMILES for sodium;bis((2R,3R,4S,5R)-5-(4-amino-2-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2-ethyl-4-fluorooxolan-3-ol);(2R,3R,4S,5R)-5-(4-amino-2-chloropyrrolo[2,3-d]pyrimidin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3S,4R,5R)-2-bromo-5-ethyl-3-fluoro-4-methyloxolane;tert-butyl-chloro-diphenylsilane;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-chloro-7-[(2R,3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine;2,4-dichloro-7-[(2R,3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]pyrrolo[2,3-d]pyrimidine;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;[(2R,3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl] benzoate;methanol;methanolate is CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.CC(C)(C)[Si](Cl)(c1ccccc1)c1ccccc1.CC[C@H]1O[C@@H](n2ccc3c(Cl)nc(Cl)nc32)[C@@H](F)[C@@H]1C.CC[C@H]1O[C@@H](n2ccc3c(N)nc(Cl)nc32)[C@@H](F)[C@@H]1C.CC[C@H]1O[C@@H](n2ccc3c(N)nc(Cl)nc32)[C@@H](F)[C@@H]1O.CC[C@H]1O[C@@H](n2ccc3c(N)nc(Cl)nc32)[C@@H](F)[C@@H]1O.CC[C@H]1O[C@H](Br)[C@@H](F)[C@@H]1C.CC[C@H]1O[C@H](OC(=O)c2ccccc2)[C@@H](F)[C@@H]1C.CO.C[O-].Clc1nc(Cl)c2cc[nH]c2n1.Nc1nc(Cl)nc2c1ccn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1F.[Na+].
What is the InChIKey of sodium;bis((2R,3R,4S,5R)-5-(4-amino-2-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2-ethyl-4-fluorooxolan-3-ol);(2R,3R,4S,5R)-5-(4-amino-2-chloropyrrolo[2,3-d]pyrimidin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3S,4R,5R)-2-bromo-5-ethyl-3-fluoro-4-methyloxolane;tert-butyl-chloro-diphenylsilane;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-chloro-7-[(2R,3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine;2,4-dichloro-7-[(2R,3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]pyrrolo[2,3-d]pyrimidine;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;[(2R,3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl] benzoate;methanol;methanolate?
The InChIKey is KPDYQVKYRKJLGJ-ZIFGOTEJSA-N. The full InChI is InChI=1S/C16H19ClSi.C14H17FO3.C13H14Cl2FN3O.C13H16ClFN4O.2C12H14ClFN4O2.C11H12ClFN4O3.C10H18O5.C7H12BrFO.C6H3Cl2N3.CH4O.CH3O.Na/c1-16(2,3)18(17,14-10-6-4-7-11-14)15-12-8-5-9-13-15;1-3-11-9(2)12(15)14(17-11)18-13(16)10-7-5-4-6-8-10;1-3-8-6(2)9(16)12(20-8)19-5-4-7-10(14)17-13(15)18-11(7)19;1-3-8-6(2)9(15)12(20-8)19-5-4-7-10(16)17-13(14)18-11(7)19;2*1-2-6-8(19)7(14)11(20-6)18-4-3-5-9(15)16-12(13)17-10(5)18;12-11-15-8(14)4-1-2-17(9(4)16-11)10-6(13)7(19)5(3-18)20-10;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;1-3-5-4(2)6(9)7(8)10-5;7-4-3-1-2-9-5(3)11-6(8)10-4;2*1-2;/h4-13H,1-3H3;4-9,11-12,14H,3H2,1-2H3;4-6,8-9,12H,3H2,1-2H3;4-6,8-9,12H,3H2,1-2H3,(H2,16,17,18);2*3-4,6-8,11,19H,2H2,1H3,(H2,15,16,17);1-2,5-7,10,18-19H,3H2,(H2,14,15,16);1-6H3;4-7H,3H2,1-2H3;1-2H,(H,9,10,11);2H,1H3;1H3;/q;;;;;;;;;;;-1;+1/t;9-,11-,12+,14-;2*6-,8-,9+,12-;2*6-,7+,8-,11-;5-,6+,7-,10-;;4-,5-,6+,7+;;;;/m.111111.1..../s1.
What are the key properties of sodium;bis((2R,3R,4S,5R)-5-(4-amino-2-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2-ethyl-4-fluorooxolan-3-ol);(2R,3R,4S,5R)-5-(4-amino-2-chloropyrrolo[2,3-d]pyrimidin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3S,4R,5R)-2-bromo-5-ethyl-3-fluoro-4-methyloxolane;tert-butyl-chloro-diphenylsilane;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-chloro-7-[(2R,3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine;2,4-dichloro-7-[(2R,3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]pyrrolo[2,3-d]pyrimidine;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;[(2R,3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl] benzoate;methanol;methanolate?
sodium;bis((2R,3R,4S,5R)-5-(4-amino-2-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2-ethyl-4-fluorooxolan-3-ol);(2R,3R,4S,5R)-5-(4-amino-2-chloropyrrolo[2,3-d]pyrimidin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3S,4R,5R)-2-bromo-5-ethyl-3-fluoro-4-methyloxolane;tert-butyl-chloro-diphenylsilane;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-chloro-7-[(2R,3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine;2,4-dichloro-7-[(2R,3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]pyrrolo[2,3-d]pyrimidine;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;[(2R,3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl] benzoate;methanol;methanolate has a molecular weight of 2751.62 g/mol, XLogP of 20.53, 16 rotatable bonds, 10 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;bis((2R,3R,4S,5R)-5-(4-amino-2-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2-ethyl-4-fluorooxolan-3-ol);(2R,3R,4S,5R)-5-(4-amino-2-chloropyrrolo[2,3-d]pyrimidin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3S,4R,5R)-2-bromo-5-ethyl-3-fluoro-4-methyloxolane;tert-butyl-chloro-diphenylsilane;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-chloro-7-[(2R,3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine;2,4-dichloro-7-[(2R,3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]pyrrolo[2,3-d]pyrimidine;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;[(2R,3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl] benzoate;methanol;methanolate is sourced from PubChem (CID 159200007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).