4-[2-[[(2R,3S,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]-3-ethoxy-3-oxo-2-(2H-tetrazol-5-yl)propyl]benzoic acid;[(2R,3R,4R,5S)-2-[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-chloropurin-9-yl]-5-[(1-cyano-2-oxopropoxy)methyl]-4-methyloxolan-3-yl] tert-butyl carbonate;[(2R,3R,4R,5S)-2-[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-chloropurin-9-yl]-5-(hydroxymethyl)-4-methyloxolan-3-yl] tert-butyl carbonate;2-diazo-3-oxobutanenitrile;methyl 4-[2-[[(2R,3S,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]-3-ethoxy-3-oxo-2-(2H-tetrazol-5-yl)propyl]benzoate;methyl 4-[2-[[(2S,3R,4R,5R)-5-[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-chloropurin-9-yl]-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]oxolan-2-yl]methoxy]-3-ethoxy-3-oxo-2-(2H-tetrazol-5-yl)propyl]benzoate;methyl 4-(bromomethyl)benzoate

C156H193BrCl5N41O51 — CID 161110049

About 4-[2-[[(2R,3S,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]-3-ethoxy-3-oxo-2-(2H-tetrazol-5-yl)propyl]benzoic acid;[(2R,3R,4R,5S)-2-[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-chloropurin-9-yl]-5-[(1-cyano-2-oxopropoxy)methyl]-4-methyloxolan-3-yl] tert-butyl carbonate;[(2R,3R,4R,5S)-2-[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-chloropurin-9-yl]-5-(hydroxymethyl)-4-methyloxolan-3-yl] tert-butyl carbonate;2-diazo-3-oxobutanenitrile;methyl 4-[2-[[(2R,3S,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]-3-ethoxy-3-oxo-2-(2H-tetrazol-5-yl)propyl]benzoate;methyl 4-[2-[[(2S,3R,4R,5R)-5-[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-chloropurin-9-yl]-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]oxolan-2-yl]methoxy]-3-ethoxy-3-oxo-2-(2H-tetrazol-5-yl)propyl]benzoate;methyl 4-(bromomethyl)benzoate

4-[2-[[(2R,3S,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]-3-ethoxy-3-oxo-2-(2H-tetrazol-5-yl)propyl]benzoic acid;[(2R,3R,4R,5S)-2-[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-chloropurin-9-yl]-5-[(1-cyano-2-oxopropoxy)methyl]-4-methyloxolan-3-yl] tert-butyl carbonate;[(2R,3R,4R,5S)-2-[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-chloropurin-9-yl]-5-(hydroxymethyl)-4-methyloxolan-3-yl] tert-butyl carbonate;2-diazo-3-oxobutanenitrile;methyl 4-[2-[[(2R,3S,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]-3-ethoxy-3-oxo-2-(2H-tetrazol-5-yl)propyl]benzoate;methyl 4-[2-[[(2S,3R,4R,5R)-5-[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-chloropurin-9-yl]-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]oxolan-2-yl]methoxy]-3-ethoxy-3-oxo-2-(2H-tetrazol-5-yl)propyl]benzoate;methyl 4-(bromomethyl)benzoate (PubChem CID 161110049) has the molecular formula C156H193BrCl5N41O51 and a molecular weight of 3715.66 g/mol. Its IUPAC name is 4-[2-[[(2R,3S,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]-3-ethoxy-3-oxo-2-(2H-tetrazol-5-yl)propyl]benzoic acid;[(2R,3R,4R,5S)-2-[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-chloropurin-9-yl]-5-[(1-cyano-2-oxopropoxy)methyl]-4-methyloxolan-3-yl] tert-butyl carbonate;[(2R,3R,4R,5S)-2-[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-chloropurin-9-yl]-5-(hydroxymethyl)-4-methyloxolan-3-yl] tert-butyl carbonate;2-diazo-3-oxobutanenitrile;methyl 4-[2-[[(2R,3S,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]-3-ethoxy-3-oxo-2-(2H-tetrazol-5-yl)propyl]benzoate;methyl 4-[2-[[(2S,3R,4R,5R)-5-[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-chloropurin-9-yl]-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]oxolan-2-yl]methoxy]-3-ethoxy-3-oxo-2-(2H-tetrazol-5-yl)propyl]benzoate;methyl 4-(bromomethyl)benzoate.

Molecular Properties

• Compound Name: 4-[2-[[(2R,3S,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]-3-ethoxy-3-oxo-2-(2H-tetrazol-5-yl)propyl]benzoic acid;[(2R,3R,4R,5S)-2-[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-chloropurin-9-yl]-5-[(1-cyano-2-oxopropoxy)methyl]-4-methyloxolan-3-yl] tert-butyl carbonate;[(2R,3R,4R,5S)-2-[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-chloropurin-9-yl]-5-(hydroxymethyl)-4-methyloxolan-3-yl] tert-butyl carbonate;2-diazo-3-oxobutanenitrile;methyl 4-[2-[[(2R,3S,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]-3-ethoxy-3-oxo-2-(2H-tetrazol-5-yl)propyl]benzoate;methyl 4-[2-[[(2S,3R,4R,5R)-5-[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-chloropurin-9-yl]-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]oxolan-2-yl]methoxy]-3-ethoxy-3-oxo-2-(2H-tetrazol-5-yl)propyl]benzoate;methyl 4-(bromomethyl)benzoate
• PubChem CID: 161110049
• Molecular Formula: C156H193BrCl5N41O51
• Molecular Weight: 3715.66 g/mol
• Exact Mass: 3710.14
• IUPAC Name: 4-[2-[[(2R,3S,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]-3-ethoxy-3-oxo-2-(2H-tetrazol-5-yl)propyl]benzoic acid;[(2R,3R,4R,5S)-2-[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-chloropurin-9-yl]-5-[(1-cyano-2-oxopropoxy)methyl]-4-methyloxolan-3-yl] tert-butyl carbonate;[(2R,3R,4R,5S)-2-[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-chloropurin-9-yl]-5-(hydroxymethyl)-4-methyloxolan-3-yl] tert-butyl carbonate;2-diazo-3-oxobutanenitrile;methyl 4-[2-[[(2R,3S,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]-3-ethoxy-3-oxo-2-(2H-tetrazol-5-yl)propyl]benzoate;methyl 4-[2-[[(2S,3R,4R,5R)-5-[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-chloropurin-9-yl]-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]oxolan-2-yl]methoxy]-3-ethoxy-3-oxo-2-(2H-tetrazol-5-yl)propyl]benzoate;methyl 4-(bromomethyl)benzoate
• SMILES: CC(=O)C(C#N)=[N+]=[N-].CC(=O)C(C#N)OC[C@H]1O[C@@H](n2cnc3c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nc(Cl)nc32)[C@H](OC(=O)OC(C)(C)C)[C@@H]1C.CCOC(=O)C(Cc1ccc(C(=O)O)cc1)(OC[C@H]1O[C@@H](n2cnc3c(N)nc(Cl)nc32)[C@H](O)[C@@H]1O)c1nn[nH]n1.CCOC(=O)C(Cc1ccc(C(=O)OC)cc1)(OC[C@H]1O[C@@H](n2cnc3c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nc(Cl)nc32)[C@H](OC(=O)OC(C)(C)C)[C@@H]1C)c1nn[nH]n1.CCOC(=O)C(Cc1ccc(C(=O)OC)cc1)(OC[C@H]1O[C@@H](n2cnc3c(N)nc(Cl)nc32)[C@H](O)[C@@H]1O)c1nn[nH]n1.COC(=O)c1ccc(CBr)cc1.C[C@H]1[C@@H](OC(=O)OC(C)(C)C)[C@H](n2cnc3c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nc(Cl)nc32)O[C@@H]1CO
• InChI: InChI=1S/C40H52ClN9O13.C30H41ClN6O10.C26H38ClN5O9.C24H26ClN9O8.C23H24ClN9O8.C9H9BrO2.C4H3N3O/c1-13-57-32(52)40(31-45-47-48-46-31,18-22-14-16-23(17-15-22)30(51)56-12)58-19-24-21(2)26(60-36(55)63-39(9,10)11)29(59-24)49-20-42-25-27(49)43-33(41)44-28(25)50(34(53)61-37(3,4)5)35(54)62-38(6,7)8;1-15-18(13-42-17(12-32)16(2)38)43-23(20(15)44-27(41)47-30(9,10)11)36-14-33-19-21(36)34-24(31)35-22(19)37(25(39)45-28(3,4)5)26(40)46-29(6,7)8;1-13-14(11-33)37-19(16(13)38-23(36)41-26(8,9)10)31-12-28-15-17(31)29-20(27)30-18(15)32(21(34)39-24(2,3)4)22(35)40-25(5,6)7;1-3-40-22(38)24(21-30-32-33-31-21,8-11-4-6-12(7-5-11)20(37)39-2)41-9-13-15(35)16(36)19(42-13)34-10-27-14-17(26)28-23(25)29-18(14)34;1-2-39-21(38)23(20-29-31-32-30-20,7-10-3-5-11(6-4-10)19(36)37)40-8-12-14(34)15(35)18(41-12)33-9-26-13-16(25)27-22(24)28-17(13)33;1-12-9(11)8-4-2-7(6-10)3-5-8;1-3(8)4(2-5)7-6/h14-17,20-21,24,26,29H,13,18-19H2,1-12H3,(H,45,46,47,48);14-15,17-18,20,23H,13H2,1-11H3;12-14,16,19,33H,11H2,1-10H3;4-7,10,13,15-16,19,35-36H,3,8-9H2,1-2H3,(H2,26,28,29)(H,30,31,32,33);3-6,9,12,14-15,18,34-35H,2,7-8H2,1H3,(H,36,37)(H2,25,27,28)(H,29,30,31,32);2-5H,6H2,1H3;1H3/t21-,24-,26-,29-,40?;15-,17?,18-,20-,23-;13-,14-,16-,19-;13-,15-,16-,19-,24?;12-,14-,15-,18-,23?;;/m11111../s1
• InChIKey: UJOLWUSAUQUZDA-PIMWWMDPSA-N
• XLogP: 17.98
• TPSA: 1204.97 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 83
• Rotatable Bonds: 46
• Heavy Atoms: 254
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3715.66
LogP ≤ 5	17.98
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	83

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[(2R,3S,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]-3-ethoxy-3-oxo-2-(2H-tetrazol-5-yl)propyl]benzoic acid;[(2R,3R,4R,5S)-2-[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-chloropurin-9-yl]-5-[(1-cyano-2-oxopropoxy)methyl]-4-methyloxolan-3-yl] tert-butyl carbonate;[(2R,3R,4R,5S)-2-[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-chloropurin-9-yl]-5-(hydroxymethyl)-4-methyloxolan-3-yl] tert-butyl carbonate;2-diazo-3-oxobutanenitrile;methyl 4-[2-[[(2R,3S,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]-3-ethoxy-3-oxo-2-(2H-tetrazol-5-yl)propyl]benzoate;methyl 4-[2-[[(2S,3R,4R,5R)-5-[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-chloropurin-9-yl]-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]oxolan-2-yl]methoxy]-3-ethoxy-3-oxo-2-(2H-tetrazol-5-yl)propyl]benzoate;methyl 4-(bromomethyl)benzoate?

The IUPAC name of 4-[2-[[(2R,3S,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]-3-ethoxy-3-oxo-2-(2H-tetrazol-5-yl)propyl]benzoic acid;[(2R,3R,4R,5S)-2-[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-chloropurin-9-yl]-5-[(1-cyano-2-oxopropoxy)methyl]-4-methyloxolan-3-yl] tert-butyl carbonate;[(2R,3R,4R,5S)-2-[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-chloropurin-9-yl]-5-(hydroxymethyl)-4-methyloxolan-3-yl] tert-butyl carbonate;2-diazo-3-oxobutanenitrile;methyl 4-[2-[[(2R,3S,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]-3-ethoxy-3-oxo-2-(2H-tetrazol-5-yl)propyl]benzoate;methyl 4-[2-[[(2S,3R,4R,5R)-5-[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-chloropurin-9-yl]-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]oxolan-2-yl]methoxy]-3-ethoxy-3-oxo-2-(2H-tetrazol-5-yl)propyl]benzoate;methyl 4-(bromomethyl)benzoate (CID 161110049) is 4-[2-[[(2R,3S,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]-3-ethoxy-3-oxo-2-(2H-tetrazol-5-yl)propyl]benzoic acid;[(2R,3R,4R,5S)-2-[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-chloropurin-9-yl]-5-[(1-cyano-2-oxopropoxy)methyl]-4-methyloxolan-3-yl] tert-butyl carbonate;[(2R,3R,4R,5S)-2-[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-chloropurin-9-yl]-5-(hydroxymethyl)-4-methyloxolan-3-yl] tert-butyl carbonate;2-diazo-3-oxobutanenitrile;methyl 4-[2-[[(2R,3S,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]-3-ethoxy-3-oxo-2-(2H-tetrazol-5-yl)propyl]benzoate;methyl 4-[2-[[(2S,3R,4R,5R)-5-[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-chloropurin-9-yl]-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]oxolan-2-yl]methoxy]-3-ethoxy-3-oxo-2-(2H-tetrazol-5-yl)propyl]benzoate;methyl 4-(bromomethyl)benzoate.

What is the SMILES notation for 4-[2-[[(2R,3S,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]-3-ethoxy-3-oxo-2-(2H-tetrazol-5-yl)propyl]benzoic acid;[(2R,3R,4R,5S)-2-[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-chloropurin-9-yl]-5-[(1-cyano-2-oxopropoxy)methyl]-4-methyloxolan-3-yl] tert-butyl carbonate;[(2R,3R,4R,5S)-2-[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-chloropurin-9-yl]-5-(hydroxymethyl)-4-methyloxolan-3-yl] tert-butyl carbonate;2-diazo-3-oxobutanenitrile;methyl 4-[2-[[(2R,3S,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]-3-ethoxy-3-oxo-2-(2H-tetrazol-5-yl)propyl]benzoate;methyl 4-[2-[[(2S,3R,4R,5R)-5-[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-chloropurin-9-yl]-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]oxolan-2-yl]methoxy]-3-ethoxy-3-oxo-2-(2H-tetrazol-5-yl)propyl]benzoate;methyl 4-(bromomethyl)benzoate?

The canonical SMILES for 4-[2-[[(2R,3S,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]-3-ethoxy-3-oxo-2-(2H-tetrazol-5-yl)propyl]benzoic acid;[(2R,3R,4R,5S)-2-[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-chloropurin-9-yl]-5-[(1-cyano-2-oxopropoxy)methyl]-4-methyloxolan-3-yl] tert-butyl carbonate;[(2R,3R,4R,5S)-2-[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-chloropurin-9-yl]-5-(hydroxymethyl)-4-methyloxolan-3-yl] tert-butyl carbonate;2-diazo-3-oxobutanenitrile;methyl 4-[2-[[(2R,3S,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]-3-ethoxy-3-oxo-2-(2H-tetrazol-5-yl)propyl]benzoate;methyl 4-[2-[[(2S,3R,4R,5R)-5-[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-chloropurin-9-yl]-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]oxolan-2-yl]methoxy]-3-ethoxy-3-oxo-2-(2H-tetrazol-5-yl)propyl]benzoate;methyl 4-(bromomethyl)benzoate is CC(=O)C(C#N)=[N+]=[N-].CC(=O)C(C#N)OC[C@H]1O[C@@H](n2cnc3c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nc(Cl)nc32)[C@H](OC(=O)OC(C)(C)C)[C@@H]1C.CCOC(=O)C(Cc1ccc(C(=O)O)cc1)(OC[C@H]1O[C@@H](n2cnc3c(N)nc(Cl)nc32)[C@H](O)[C@@H]1O)c1nn[nH]n1.CCOC(=O)C(Cc1ccc(C(=O)OC)cc1)(OC[C@H]1O[C@@H](n2cnc3c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nc(Cl)nc32)[C@H](OC(=O)OC(C)(C)C)[C@@H]1C)c1nn[nH]n1.CCOC(=O)C(Cc1ccc(C(=O)OC)cc1)(OC[C@H]1O[C@@H](n2cnc3c(N)nc(Cl)nc32)[C@H](O)[C@@H]1O)c1nn[nH]n1.COC(=O)c1ccc(CBr)cc1.C[C@H]1[C@@H](OC(=O)OC(C)(C)C)[C@H](n2cnc3c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nc(Cl)nc32)O[C@@H]1CO.

What is the InChIKey of 4-[2-[[(2R,3S,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]-3-ethoxy-3-oxo-2-(2H-tetrazol-5-yl)propyl]benzoic acid;[(2R,3R,4R,5S)-2-[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-chloropurin-9-yl]-5-[(1-cyano-2-oxopropoxy)methyl]-4-methyloxolan-3-yl] tert-butyl carbonate;[(2R,3R,4R,5S)-2-[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-chloropurin-9-yl]-5-(hydroxymethyl)-4-methyloxolan-3-yl] tert-butyl carbonate;2-diazo-3-oxobutanenitrile;methyl 4-[2-[[(2R,3S,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]-3-ethoxy-3-oxo-2-(2H-tetrazol-5-yl)propyl]benzoate;methyl 4-[2-[[(2S,3R,4R,5R)-5-[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-chloropurin-9-yl]-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]oxolan-2-yl]methoxy]-3-ethoxy-3-oxo-2-(2H-tetrazol-5-yl)propyl]benzoate;methyl 4-(bromomethyl)benzoate?

The InChIKey is UJOLWUSAUQUZDA-PIMWWMDPSA-N. The full InChI is InChI=1S/C40H52ClN9O13.C30H41ClN6O10.C26H38ClN5O9.C24H26ClN9O8.C23H24ClN9O8.C9H9BrO2.C4H3N3O/c1-13-57-32(52)40(31-45-47-48-46-31,18-22-14-16-23(17-15-22)30(51)56-12)58-19-24-21(2)26(60-36(55)63-39(9,10)11)29(59-24)49-20-42-25-27(49)43-33(41)44-28(25)50(34(53)61-37(3,4)5)35(54)62-38(6,7)8;1-15-18(13-42-17(12-32)16(2)38)43-23(20(15)44-27(41)47-30(9,10)11)36-14-33-19-21(36)34-24(31)35-22(19)37(25(39)45-28(3,4)5)26(40)46-29(6,7)8;1-13-14(11-33)37-19(16(13)38-23(36)41-26(8,9)10)31-12-28-15-17(31)29-20(27)30-18(15)32(21(34)39-24(2,3)4)22(35)40-25(5,6)7;1-3-40-22(38)24(21-30-32-33-31-21,8-11-4-6-12(7-5-11)20(37)39-2)41-9-13-15(35)16(36)19(42-13)34-10-27-14-17(26)28-23(25)29-18(14)34;1-2-39-21(38)23(20-29-31-32-30-20,7-10-3-5-11(6-4-10)19(36)37)40-8-12-14(34)15(35)18(41-12)33-9-26-13-16(25)27-22(24)28-17(13)33;1-12-9(11)8-4-2-7(6-10)3-5-8;1-3(8)4(2-5)7-6/h14-17,20-21,24,26,29H,13,18-19H2,1-12H3,(H,45,46,47,48);14-15,17-18,20,23H,13H2,1-11H3;12-14,16,19,33H,11H2,1-10H3;4-7,10,13,15-16,19,35-36H,3,8-9H2,1-2H3,(H2,26,28,29)(H,30,31,32,33);3-6,9,12,14-15,18,34-35H,2,7-8H2,1H3,(H,36,37)(H2,25,27,28)(H,29,30,31,32);2-5H,6H2,1H3;1H3/t21-,24-,26-,29-,40?;15-,17?,18-,20-,23-;13-,14-,16-,19-;13-,15-,16-,19-,24?;12-,14-,15-,18-,23?;;/m11111../s1.

What are the key properties of 4-[2-[[(2R,3S,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]-3-ethoxy-3-oxo-2-(2H-tetrazol-5-yl)propyl]benzoic acid;[(2R,3R,4R,5S)-2-[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-chloropurin-9-yl]-5-[(1-cyano-2-oxopropoxy)methyl]-4-methyloxolan-3-yl] tert-butyl carbonate;[(2R,3R,4R,5S)-2-[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-chloropurin-9-yl]-5-(hydroxymethyl)-4-methyloxolan-3-yl] tert-butyl carbonate;2-diazo-3-oxobutanenitrile;methyl 4-[2-[[(2R,3S,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]-3-ethoxy-3-oxo-2-(2H-tetrazol-5-yl)propyl]benzoate;methyl 4-[2-[[(2S,3R,4R,5R)-5-[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-chloropurin-9-yl]-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]oxolan-2-yl]methoxy]-3-ethoxy-3-oxo-2-(2H-tetrazol-5-yl)propyl]benzoate;methyl 4-(bromomethyl)benzoate?

4-[2-[[(2R,3S,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]-3-ethoxy-3-oxo-2-(2H-tetrazol-5-yl)propyl]benzoic acid;[(2R,3R,4R,5S)-2-[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-chloropurin-9-yl]-5-[(1-cyano-2-oxopropoxy)methyl]-4-methyloxolan-3-yl] tert-butyl carbonate;[(2R,3R,4R,5S)-2-[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-chloropurin-9-yl]-5-(hydroxymethyl)-4-methyloxolan-3-yl] tert-butyl carbonate;2-diazo-3-oxobutanenitrile;methyl 4-[2-[[(2R,3S,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]-3-ethoxy-3-oxo-2-(2H-tetrazol-5-yl)propyl]benzoate;methyl 4-[2-[[(2S,3R,4R,5R)-5-[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-chloropurin-9-yl]-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]oxolan-2-yl]methoxy]-3-ethoxy-3-oxo-2-(2H-tetrazol-5-yl)propyl]benzoate;methyl 4-(bromomethyl)benzoate has a molecular weight of 3715.66 g/mol, XLogP of 17.98, 46 rotatable bonds, 11 hydrogen bond donors, and 83 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[[(2R,3S,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]-3-ethoxy-3-oxo-2-(2H-tetrazol-5-yl)propyl]benzoic acid;[(2R,3R,4R,5S)-2-[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-chloropurin-9-yl]-5-[(1-cyano-2-oxopropoxy)methyl]-4-methyloxolan-3-yl] tert-butyl carbonate;[(2R,3R,4R,5S)-2-[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-chloropurin-9-yl]-5-(hydroxymethyl)-4-methyloxolan-3-yl] tert-butyl carbonate;2-diazo-3-oxobutanenitrile;methyl 4-[2-[[(2R,3S,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]-3-ethoxy-3-oxo-2-(2H-tetrazol-5-yl)propyl]benzoate;methyl 4-[2-[[(2S,3R,4R,5R)-5-[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-chloropurin-9-yl]-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]oxolan-2-yl]methoxy]-3-ethoxy-3-oxo-2-(2H-tetrazol-5-yl)propyl]benzoate;methyl 4-(bromomethyl)benzoate is sourced from PubChem (CID 161110049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).