About (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[4-(5-tert-butyl-1H-indol-2-yl)butyl-methylamino]methyl]oxolane-3,4-diol;[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-[(3R)-3-[(4-tert-butylphenyl)carbamoylamino]-4-methylpentyl]-dimethylazanium;N-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-3-[(4-tert-butylphenyl)carbamoylamino]-N-methylpropanamide;[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-[3-[(4-tert-butylphenyl)carbamoylamino]propyl]-(cyclopropylmethyl)-methylazanium;6-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]-1-(1,3-benzodioxol-5-yl)hexan-2-one;6-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]-1-(4-phenoxyphenyl)hexan-2-one
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[4-(5-tert-butyl-1H-indol-2-yl)butyl-methylamino]methyl]oxolane-3,4-diol;[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-[(3R)-3-[(4-tert-butylphenyl)carbamoylamino]-4-methylpentyl]-dimethylazanium;N-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-3-[(4-tert-butylphenyl)carbamoylamino]-N-methylpropanamide;[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-[3-[(4-tert-butylphenyl)carbamoylamino]propyl]-(cyclopropylmethyl)-methylazanium;6-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]-1-(1,3-benzodioxol-5-yl)hexan-2-one;6-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]-1-(4-phenoxyphenyl)hexan-2-one (PubChem CID 162280272) has the molecular formula C163H223N43O27+2
and a molecular weight of 3216.85 g/mol. Its IUPAC name is (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[4-(5-tert-butyl-1H-indol-2-yl)butyl-methylamino]methyl]oxolane-3,4-diol;[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-[(3R)-3-[(4-tert-butylphenyl)carbamoylamino]-4-methylpentyl]-dimethylazanium;N-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-3-[(4-tert-butylphenyl)carbamoylamino]-N-methylpropanamide;[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-[3-[(4-tert-butylphenyl)carbamoylamino]propyl]-(cyclopropylmethyl)-methylazanium;6-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]-1-(1,3-benzodioxol-5-yl)hexan-2-one;6-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]-1-(4-phenoxyphenyl)hexan-2-one.
Frequently Asked Questions
What is the IUPAC name of (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[4-(5-tert-butyl-1H-indol-2-yl)butyl-methylamino]methyl]oxolane-3,4-diol;[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-[(3R)-3-[(4-tert-butylphenyl)carbamoylamino]-4-methylpentyl]-dimethylazanium;N-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-3-[(4-tert-butylphenyl)carbamoylamino]-N-methylpropanamide;[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-[3-[(4-tert-butylphenyl)carbamoylamino]propyl]-(cyclopropylmethyl)-methylazanium;6-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]-1-(1,3-benzodioxol-5-yl)hexan-2-one;6-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]-1-(4-phenoxyphenyl)hexan-2-one?
The IUPAC name of (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[4-(5-tert-butyl-1H-indol-2-yl)butyl-methylamino]methyl]oxolane-3,4-diol;[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-[(3R)-3-[(4-tert-butylphenyl)carbamoylamino]-4-methylpentyl]-dimethylazanium;N-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-3-[(4-tert-butylphenyl)carbamoylamino]-N-methylpropanamide;[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-[3-[(4-tert-butylphenyl)carbamoylamino]propyl]-(cyclopropylmethyl)-methylazanium;6-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]-1-(1,3-benzodioxol-5-yl)hexan-2-one;6-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]-1-(4-phenoxyphenyl)hexan-2-one (CID 162280272) is (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[4-(5-tert-butyl-1H-indol-2-yl)butyl-methylamino]methyl]oxolane-3,4-diol;[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-[(3R)-3-[(4-tert-butylphenyl)carbamoylamino]-4-methylpentyl]-dimethylazanium;N-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-3-[(4-tert-butylphenyl)carbamoylamino]-N-methylpropanamide;[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-[3-[(4-tert-butylphenyl)carbamoylamino]propyl]-(cyclopropylmethyl)-methylazanium;6-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]-1-(1,3-benzodioxol-5-yl)hexan-2-one;6-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]-1-(4-phenoxyphenyl)hexan-2-one.
What is the SMILES notation for (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[4-(5-tert-butyl-1H-indol-2-yl)butyl-methylamino]methyl]oxolane-3,4-diol;[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-[(3R)-3-[(4-tert-butylphenyl)carbamoylamino]-4-methylpentyl]-dimethylazanium;N-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-3-[(4-tert-butylphenyl)carbamoylamino]-N-methylpropanamide;[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-[3-[(4-tert-butylphenyl)carbamoylamino]propyl]-(cyclopropylmethyl)-methylazanium;6-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]-1-(1,3-benzodioxol-5-yl)hexan-2-one;6-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]-1-(4-phenoxyphenyl)hexan-2-one?
The canonical SMILES for (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[4-(5-tert-butyl-1H-indol-2-yl)butyl-methylamino]methyl]oxolane-3,4-diol;[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-[(3R)-3-[(4-tert-butylphenyl)carbamoylamino]-4-methylpentyl]-dimethylazanium;N-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-3-[(4-tert-butylphenyl)carbamoylamino]-N-methylpropanamide;[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-[3-[(4-tert-butylphenyl)carbamoylamino]propyl]-(cyclopropylmethyl)-methylazanium;6-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]-1-(1,3-benzodioxol-5-yl)hexan-2-one;6-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]-1-(4-phenoxyphenyl)hexan-2-one is CC(C)(C)c1ccc(NC(=O)NCCC[N+](C)(CC2CC2)C[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)cc1.CC(C)[C@@H](CC[N+](C)(C)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)NC(=O)Nc1ccc(C(C)(C)C)cc1.CN(CCCCC(=O)Cc1ccc(Oc2ccccc2)cc1)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.CN(CCCCC(=O)Cc1ccc2c(c1)OCO2)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.CN(CCCCc1cc2cc(C(C)(C)C)ccc2[nH]1)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.CN(C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)C(=O)CCNC(=O)Nc1ccc(C(C)(C)C)cc1.
What is the InChIKey of (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[4-(5-tert-butyl-1H-indol-2-yl)butyl-methylamino]methyl]oxolane-3,4-diol;[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-[(3R)-3-[(4-tert-butylphenyl)carbamoylamino]-4-methylpentyl]-dimethylazanium;N-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-3-[(4-tert-butylphenyl)carbamoylamino]-N-methylpropanamide;[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-[3-[(4-tert-butylphenyl)carbamoylamino]propyl]-(cyclopropylmethyl)-methylazanium;6-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]-1-(1,3-benzodioxol-5-yl)hexan-2-one;6-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]-1-(4-phenoxyphenyl)hexan-2-one?
The InChIKey is XFUZXUUHQORTFU-SNCKWXNVSA-P. The full InChI is InChI=1S/C29H42N8O4.C29H44N8O4.C29H34N6O5.C27H37N7O3.C25H34N8O5.C24H30N6O6/c1-29(2,3)19-8-10-20(11-9-19)35-28(40)31-12-5-13-37(4,14-18-6-7-18)15-21-23(38)24(39)27(41-21)36-17-34-22-25(30)32-16-33-26(22)36;1-17(2)20(35-28(40)34-19-10-8-18(9-11-19)29(3,4)5)12-13-37(6,7)14-21-23(38)24(39)27(41-21)36-16-33-22-25(30)31-15-32-26(22)36;1-34(16-23-25(37)26(38)29(40-23)35-18-33-24-27(30)31-17-32-28(24)35)14-6-5-7-20(36)15-19-10-12-22(13-11-19)39-21-8-3-2-4-9-21;1-27(2,3)17-8-9-19-16(11-17)12-18(32-19)7-5-6-10-33(4)13-20-22(35)23(36)26(37-20)34-15-31-21-24(28)29-14-30-25(21)34;1-25(2,3)14-5-7-15(8-6-14)31-24(37)27-10-9-17(34)32(4)11-16-19(35)20(36)23(38-16)33-13-30-18-21(26)28-12-29-22(18)33;1-29(7-3-2-4-15(31)8-14-5-6-16-17(9-14)35-13-34-16)10-18-20(32)21(33)24(36-18)30-12-28-19-22(25)26-11-27-23(19)30/h8-11,16-18,21,23-24,27,38-39H,5-7,12-15H2,1-4H3,(H3-,30,31,32,33,35,40);8-11,15-17,20-21,23-24,27,38-39H,12-14H2,1-7H3,(H3-,30,31,32,34,35,40);2-4,8-13,17-18,23,25-26,29,37-38H,5-7,14-16H2,1H3,(H2,30,31,32);8-9,11-12,14-15,20,22-23,26,32,35-36H,5-7,10,13H2,1-4H3,(H2,28,29,30);5-8,12-13,16,19-20,23,35-36H,9-11H2,1-4H3,(H2,26,28,29)(H2,27,31,37);5-6,9,11-12,18,20-21,24,32-33H,2-4,7-8,10,13H2,1H3,(H2,25,26,27)/p+2/t21-,23-,24-,27-,37?;20-,21-,23-,24-,27-;23-,25-,26-,29-;20-,22-,23-,26-;16-,19-,20-,23-;18-,20-,21-,24-/m111111/s1.
What are the key properties of (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[4-(5-tert-butyl-1H-indol-2-yl)butyl-methylamino]methyl]oxolane-3,4-diol;[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-[(3R)-3-[(4-tert-butylphenyl)carbamoylamino]-4-methylpentyl]-dimethylazanium;N-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-3-[(4-tert-butylphenyl)carbamoylamino]-N-methylpropanamide;[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-[3-[(4-tert-butylphenyl)carbamoylamino]propyl]-(cyclopropylmethyl)-methylazanium;6-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]-1-(1,3-benzodioxol-5-yl)hexan-2-one;6-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]-1-(4-phenoxyphenyl)hexan-2-one?
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[4-(5-tert-butyl-1H-indol-2-yl)butyl-methylamino]methyl]oxolane-3,4-diol;[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-[(3R)-3-[(4-tert-butylphenyl)carbamoylamino]-4-methylpentyl]-dimethylazanium;N-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-3-[(4-tert-butylphenyl)carbamoylamino]-N-methylpropanamide;[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-[3-[(4-tert-butylphenyl)carbamoylamino]propyl]-(cyclopropylmethyl)-methylazanium;6-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]-1-(1,3-benzodioxol-5-yl)hexan-2-one;6-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]-1-(4-phenoxyphenyl)hexan-2-one has a molecular weight of 3216.85 g/mol, XLogP of 12.19, 56 rotatable bonds, 25 hydrogen bond donors, and 60 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[4-(5-tert-butyl-1H-indol-2-yl)butyl-methylamino]methyl]oxolane-3,4-diol;[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-[(3R)-3-[(4-tert-butylphenyl)carbamoylamino]-4-methylpentyl]-dimethylazanium;N-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-3-[(4-tert-butylphenyl)carbamoylamino]-N-methylpropanamide;[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-[3-[(4-tert-butylphenyl)carbamoylamino]propyl]-(cyclopropylmethyl)-methylazanium;6-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]-1-(1,3-benzodioxol-5-yl)hexan-2-one;6-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]-1-(4-phenoxyphenyl)hexan-2-one is sourced from PubChem (CID 162280272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).