About [(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-4-[2-(dimethylamino)ethylcarbamoyloxy]-5-(methylsulfanylmethyl)oxolan-3-yl] benzoate;[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-[2-(dimethylamino)ethylcarbamoyloxy]-2-(methylsulfanylmethyl)oxolan-3-yl] benzoate;[(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(methylsulfanylmethyl)oxolan-3-yl] N-[2-(dimethylamino)ethyl]carbamate;[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(methylsulfanylmethyl)oxolan-3-yl] N-[2-(dimethylamino)ethyl]carbamate
[(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-4-[2-(dimethylamino)ethylcarbamoyloxy]-5-(methylsulfanylmethyl)oxolan-3-yl] benzoate;[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-[2-(dimethylamino)ethylcarbamoyloxy]-2-(methylsulfanylmethyl)oxolan-3-yl] benzoate;[(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(methylsulfanylmethyl)oxolan-3-yl] N-[2-(dimethylamino)ethyl]carbamate;[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(methylsulfanylmethyl)oxolan-3-yl] N-[2-(dimethylamino)ethyl]carbamate (PubChem CID 159156591) has the molecular formula C78H108N28O18S4
and a molecular weight of 1854.17 g/mol. Its IUPAC name is [(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-4-[2-(dimethylamino)ethylcarbamoyloxy]-5-(methylsulfanylmethyl)oxolan-3-yl] benzoate;[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-[2-(dimethylamino)ethylcarbamoyloxy]-2-(methylsulfanylmethyl)oxolan-3-yl] benzoate;[(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(methylsulfanylmethyl)oxolan-3-yl] N-[2-(dimethylamino)ethyl]carbamate;[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(methylsulfanylmethyl)oxolan-3-yl] N-[2-(dimethylamino)ethyl]carbamate.
Frequently Asked Questions
What is the IUPAC name of [(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-4-[2-(dimethylamino)ethylcarbamoyloxy]-5-(methylsulfanylmethyl)oxolan-3-yl] benzoate;[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-[2-(dimethylamino)ethylcarbamoyloxy]-2-(methylsulfanylmethyl)oxolan-3-yl] benzoate;[(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(methylsulfanylmethyl)oxolan-3-yl] N-[2-(dimethylamino)ethyl]carbamate;[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(methylsulfanylmethyl)oxolan-3-yl] N-[2-(dimethylamino)ethyl]carbamate?
The IUPAC name of [(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-4-[2-(dimethylamino)ethylcarbamoyloxy]-5-(methylsulfanylmethyl)oxolan-3-yl] benzoate;[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-[2-(dimethylamino)ethylcarbamoyloxy]-2-(methylsulfanylmethyl)oxolan-3-yl] benzoate;[(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(methylsulfanylmethyl)oxolan-3-yl] N-[2-(dimethylamino)ethyl]carbamate;[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(methylsulfanylmethyl)oxolan-3-yl] N-[2-(dimethylamino)ethyl]carbamate (CID 159156591) is [(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-4-[2-(dimethylamino)ethylcarbamoyloxy]-5-(methylsulfanylmethyl)oxolan-3-yl] benzoate;[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-[2-(dimethylamino)ethylcarbamoyloxy]-2-(methylsulfanylmethyl)oxolan-3-yl] benzoate;[(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(methylsulfanylmethyl)oxolan-3-yl] N-[2-(dimethylamino)ethyl]carbamate;[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(methylsulfanylmethyl)oxolan-3-yl] N-[2-(dimethylamino)ethyl]carbamate.
What is the SMILES notation for [(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-4-[2-(dimethylamino)ethylcarbamoyloxy]-5-(methylsulfanylmethyl)oxolan-3-yl] benzoate;[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-[2-(dimethylamino)ethylcarbamoyloxy]-2-(methylsulfanylmethyl)oxolan-3-yl] benzoate;[(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(methylsulfanylmethyl)oxolan-3-yl] N-[2-(dimethylamino)ethyl]carbamate;[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(methylsulfanylmethyl)oxolan-3-yl] N-[2-(dimethylamino)ethyl]carbamate?
The canonical SMILES for [(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-4-[2-(dimethylamino)ethylcarbamoyloxy]-5-(methylsulfanylmethyl)oxolan-3-yl] benzoate;[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-[2-(dimethylamino)ethylcarbamoyloxy]-2-(methylsulfanylmethyl)oxolan-3-yl] benzoate;[(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(methylsulfanylmethyl)oxolan-3-yl] N-[2-(dimethylamino)ethyl]carbamate;[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(methylsulfanylmethyl)oxolan-3-yl] N-[2-(dimethylamino)ethyl]carbamate is CSC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OC(=O)NCCN(C)C.CSC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](OC(=O)NCCN(C)C)[C@@H]1O.CSC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](OC(=O)NCCN(C)C)[C@@H]1OC(=O)c1ccccc1.CSC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)NCCN(C)C.
What is the InChIKey of [(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-4-[2-(dimethylamino)ethylcarbamoyloxy]-5-(methylsulfanylmethyl)oxolan-3-yl] benzoate;[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-[2-(dimethylamino)ethylcarbamoyloxy]-2-(methylsulfanylmethyl)oxolan-3-yl] benzoate;[(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(methylsulfanylmethyl)oxolan-3-yl] N-[2-(dimethylamino)ethyl]carbamate;[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(methylsulfanylmethyl)oxolan-3-yl] N-[2-(dimethylamino)ethyl]carbamate?
The InChIKey is KJYVIKKDFLHFLY-XOGRSWRGSA-N. The full InChI is InChI=1S/2C23H29N7O5S.2C16H25N7O4S/c1-29(2)10-9-25-23(32)35-17-15(11-36-3)33-21(18(17)34-22(31)14-7-5-4-6-8-14)30-13-28-16-19(24)26-12-27-20(16)30;1-29(2)10-9-25-23(32)35-18-17(34-22(31)14-7-5-4-6-8-14)15(11-36-3)33-21(18)30-13-28-16-19(24)26-12-27-20(16)30;1-22(2)5-4-18-16(25)27-12-9(6-28-3)26-15(11(12)24)23-8-21-10-13(17)19-7-20-14(10)23;1-22(2)5-4-18-16(25)27-12-11(24)9(6-28-3)26-15(12)23-8-21-10-13(17)19-7-20-14(10)23/h2*4-8,12-13,15,17-18,21H,9-11H2,1-3H3,(H,25,32)(H2,24,26,27);2*7-9,11-12,15,24H,4-6H2,1-3H3,(H,18,25)(H2,17,19,20)/t2*15-,17-,18-,21-;2*9-,11-,12-,15-/m1111/s1.
What are the key properties of [(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-4-[2-(dimethylamino)ethylcarbamoyloxy]-5-(methylsulfanylmethyl)oxolan-3-yl] benzoate;[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-[2-(dimethylamino)ethylcarbamoyloxy]-2-(methylsulfanylmethyl)oxolan-3-yl] benzoate;[(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(methylsulfanylmethyl)oxolan-3-yl] N-[2-(dimethylamino)ethyl]carbamate;[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(methylsulfanylmethyl)oxolan-3-yl] N-[2-(dimethylamino)ethyl]carbamate?
[(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-4-[2-(dimethylamino)ethylcarbamoyloxy]-5-(methylsulfanylmethyl)oxolan-3-yl] benzoate;[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-[2-(dimethylamino)ethylcarbamoyloxy]-2-(methylsulfanylmethyl)oxolan-3-yl] benzoate;[(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(methylsulfanylmethyl)oxolan-3-yl] N-[2-(dimethylamino)ethyl]carbamate;[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(methylsulfanylmethyl)oxolan-3-yl] N-[2-(dimethylamino)ethyl]carbamate has a molecular weight of 1854.17 g/mol, XLogP of 2.47, 32 rotatable bonds, 10 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-4-[2-(dimethylamino)ethylcarbamoyloxy]-5-(methylsulfanylmethyl)oxolan-3-yl] benzoate;[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-[2-(dimethylamino)ethylcarbamoyloxy]-2-(methylsulfanylmethyl)oxolan-3-yl] benzoate;[(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(methylsulfanylmethyl)oxolan-3-yl] N-[2-(dimethylamino)ethyl]carbamate;[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(methylsulfanylmethyl)oxolan-3-yl] N-[2-(dimethylamino)ethyl]carbamate is sourced from PubChem (CID 159156591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).