[(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-yl] trifluoromethanesulfonate;[(2R,3S,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] benzoate;(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;[(2R,3R,4S,5R)-3,4-dibenzoyloxy-5-[6-(dibenzoylamino)-2-nitropurin-9-yl]oxolan-2-yl]methyl benzoate;[(2R,3R,4S,5R)-3,4-dibenzoyloxy-5-[6-(dibenzoylamino)purin-9-yl]oxolan-2-yl]methyl benzoate

C140H135F3N26O35SSi2 — CID 158105140

About [(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-yl] trifluoromethanesulfonate;[(2R,3S,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] benzoate;(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;[(2R,3R,4S,5R)-3,4-dibenzoyloxy-5-[6-(dibenzoylamino)-2-nitropurin-9-yl]oxolan-2-yl]methyl benzoate;[(2R,3R,4S,5R)-3,4-dibenzoyloxy-5-[6-(dibenzoylamino)purin-9-yl]oxolan-2-yl]methyl benzoate

[(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-yl] trifluoromethanesulfonate;[(2R,3S,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] benzoate;(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;[(2R,3R,4S,5R)-3,4-dibenzoyloxy-5-[6-(dibenzoylamino)-2-nitropurin-9-yl]oxolan-2-yl]methyl benzoate;[(2R,3R,4S,5R)-3,4-dibenzoyloxy-5-[6-(dibenzoylamino)purin-9-yl]oxolan-2-yl]methyl benzoate (PubChem CID 158105140) has the molecular formula C140H135F3N26O35SSi2 and a molecular weight of 2887.00 g/mol. Its IUPAC name is [(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-yl] trifluoromethanesulfonate;[(2R,3S,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] benzoate;(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;[(2R,3R,4S,5R)-3,4-dibenzoyloxy-5-[6-(dibenzoylamino)-2-nitropurin-9-yl]oxolan-2-yl]methyl benzoate;[(2R,3R,4S,5R)-3,4-dibenzoyloxy-5-[6-(dibenzoylamino)purin-9-yl]oxolan-2-yl]methyl benzoate.

Molecular Properties

• Compound Name: [(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-yl] trifluoromethanesulfonate;[(2R,3S,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] benzoate;(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;[(2R,3R,4S,5R)-3,4-dibenzoyloxy-5-[6-(dibenzoylamino)-2-nitropurin-9-yl]oxolan-2-yl]methyl benzoate;[(2R,3R,4S,5R)-3,4-dibenzoyloxy-5-[6-(dibenzoylamino)purin-9-yl]oxolan-2-yl]methyl benzoate
• PubChem CID: 158105140
• Molecular Formula: C140H135F3N26O35SSi2
• Molecular Weight: 2887.00 g/mol
• Exact Mass: 2884.88
• IUPAC Name: [(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-yl] trifluoromethanesulfonate;[(2R,3S,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] benzoate;(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;[(2R,3R,4S,5R)-3,4-dibenzoyloxy-5-[6-(dibenzoylamino)-2-nitropurin-9-yl]oxolan-2-yl]methyl benzoate;[(2R,3R,4S,5R)-3,4-dibenzoyloxy-5-[6-(dibenzoylamino)purin-9-yl]oxolan-2-yl]methyl benzoate
• SMILES: CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](OS(=O)(=O)C(F)(F)F)[C@H]1O[Si](C)(C)C(C)(C)C.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1OC(=O)c1ccccc1.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O.O=C(OC[C@H]1O[C@@H](n2cnc3c(N(C(=O)c4ccccc4)C(=O)c4ccccc4)nc([N+](=O)[O-])nc32)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1.O=C(OC[C@H]1O[C@@H](n2cnc3c(N(C(=O)c4ccccc4)C(=O)c4ccccc4)ncnc32)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1
• InChI: InChI=1S/C45H32N6O11.C45H33N5O9.C23H40F3N5O6SSi2.C17H17N5O5.C10H13N5O4/c52-39(28-16-6-1-7-17-28)50(40(53)29-18-8-2-9-19-29)38-34-37(47-45(48-38)51(57)58)49(27-46-34)41-36(62-44(56)32-24-14-5-15-25-32)35(61-43(55)31-22-12-4-13-23-31)33(60-41)26-59-42(54)30-20-10-3-11-21-30;51-40(29-16-6-1-7-17-29)50(41(52)30-18-8-2-9-19-30)39-35-38(46-27-47-39)49(28-48-35)42-37(59-45(55)33-24-14-5-15-25-33)36(58-44(54)32-22-12-4-13-23-32)34(57-42)26-56-43(53)31-20-10-3-11-21-31;1-21(2,3)39(7,8)34-11-14-16(37-40(9,10)22(4,5)6)17(36-38(32,33)23(24,25)26)20(35-14)31-13-30-15-18(27)28-12-29-19(15)31;18-14-11-15(20-7-19-14)22(8-21-11)16-13(12(24)10(6-23)26-16)27-17(25)9-4-2-1-3-5-9;11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h1-25,27,33,35-36,41H,26H2;1-25,27-28,34,36-37,42H,26H2;12-14,16-17,20H,11H2,1-10H3,(H2,27,28,29);1-5,7-8,10,12-13,16,23-24H,6H2,(H2,18,19,20);2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t33-,35-,36+,41-;34-,36-,37+,42-;14-,16+,17-,20-;10-,12-,13+,16-;4-,6-,7-,10-/m11111/s1
• InChIKey: FPSVZNUBLOYYBI-BNGBEDOQSA-N
• XLogP: 15.80
• TPSA: 807.19 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 58
• Rotatable Bonds: 37
• Heavy Atoms: 207
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2887.00
LogP ≤ 5	15.80
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	58

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-yl] trifluoromethanesulfonate;[(2R,3S,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] benzoate;(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;[(2R,3R,4S,5R)-3,4-dibenzoyloxy-5-[6-(dibenzoylamino)-2-nitropurin-9-yl]oxolan-2-yl]methyl benzoate;[(2R,3R,4S,5R)-3,4-dibenzoyloxy-5-[6-(dibenzoylamino)purin-9-yl]oxolan-2-yl]methyl benzoate?

The IUPAC name of [(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-yl] trifluoromethanesulfonate;[(2R,3S,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] benzoate;(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;[(2R,3R,4S,5R)-3,4-dibenzoyloxy-5-[6-(dibenzoylamino)-2-nitropurin-9-yl]oxolan-2-yl]methyl benzoate;[(2R,3R,4S,5R)-3,4-dibenzoyloxy-5-[6-(dibenzoylamino)purin-9-yl]oxolan-2-yl]methyl benzoate (CID 158105140) is [(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-yl] trifluoromethanesulfonate;[(2R,3S,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] benzoate;(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;[(2R,3R,4S,5R)-3,4-dibenzoyloxy-5-[6-(dibenzoylamino)-2-nitropurin-9-yl]oxolan-2-yl]methyl benzoate;[(2R,3R,4S,5R)-3,4-dibenzoyloxy-5-[6-(dibenzoylamino)purin-9-yl]oxolan-2-yl]methyl benzoate.

What is the SMILES notation for [(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-yl] trifluoromethanesulfonate;[(2R,3S,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] benzoate;(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;[(2R,3R,4S,5R)-3,4-dibenzoyloxy-5-[6-(dibenzoylamino)-2-nitropurin-9-yl]oxolan-2-yl]methyl benzoate;[(2R,3R,4S,5R)-3,4-dibenzoyloxy-5-[6-(dibenzoylamino)purin-9-yl]oxolan-2-yl]methyl benzoate?

The canonical SMILES for [(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-yl] trifluoromethanesulfonate;[(2R,3S,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] benzoate;(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;[(2R,3R,4S,5R)-3,4-dibenzoyloxy-5-[6-(dibenzoylamino)-2-nitropurin-9-yl]oxolan-2-yl]methyl benzoate;[(2R,3R,4S,5R)-3,4-dibenzoyloxy-5-[6-(dibenzoylamino)purin-9-yl]oxolan-2-yl]methyl benzoate is CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](OS(=O)(=O)C(F)(F)F)[C@H]1O[Si](C)(C)C(C)(C)C.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1OC(=O)c1ccccc1.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O.O=C(OC[C@H]1O[C@@H](n2cnc3c(N(C(=O)c4ccccc4)C(=O)c4ccccc4)nc([N+](=O)[O-])nc32)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1.O=C(OC[C@H]1O[C@@H](n2cnc3c(N(C(=O)c4ccccc4)C(=O)c4ccccc4)ncnc32)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1.

What is the InChIKey of [(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-yl] trifluoromethanesulfonate;[(2R,3S,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] benzoate;(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;[(2R,3R,4S,5R)-3,4-dibenzoyloxy-5-[6-(dibenzoylamino)-2-nitropurin-9-yl]oxolan-2-yl]methyl benzoate;[(2R,3R,4S,5R)-3,4-dibenzoyloxy-5-[6-(dibenzoylamino)purin-9-yl]oxolan-2-yl]methyl benzoate?

The InChIKey is FPSVZNUBLOYYBI-BNGBEDOQSA-N. The full InChI is InChI=1S/C45H32N6O11.C45H33N5O9.C23H40F3N5O6SSi2.C17H17N5O5.C10H13N5O4/c52-39(28-16-6-1-7-17-28)50(40(53)29-18-8-2-9-19-29)38-34-37(47-45(48-38)51(57)58)49(27-46-34)41-36(62-44(56)32-24-14-5-15-25-32)35(61-43(55)31-22-12-4-13-23-31)33(60-41)26-59-42(54)30-20-10-3-11-21-30;51-40(29-16-6-1-7-17-29)50(41(52)30-18-8-2-9-19-30)39-35-38(46-27-47-39)49(28-48-35)42-37(59-45(55)33-24-14-5-15-25-33)36(58-44(54)32-22-12-4-13-23-32)34(57-42)26-56-43(53)31-20-10-3-11-21-31;1-21(2,3)39(7,8)34-11-14-16(37-40(9,10)22(4,5)6)17(36-38(32,33)23(24,25)26)20(35-14)31-13-30-15-18(27)28-12-29-19(15)31;18-14-11-15(20-7-19-14)22(8-21-11)16-13(12(24)10(6-23)26-16)27-17(25)9-4-2-1-3-5-9;11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h1-25,27,33,35-36,41H,26H2;1-25,27-28,34,36-37,42H,26H2;12-14,16-17,20H,11H2,1-10H3,(H2,27,28,29);1-5,7-8,10,12-13,16,23-24H,6H2,(H2,18,19,20);2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t33-,35-,36+,41-;34-,36-,37+,42-;14-,16+,17-,20-;10-,12-,13+,16-;4-,6-,7-,10-/m11111/s1.

What are the key properties of [(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-yl] trifluoromethanesulfonate;[(2R,3S,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] benzoate;(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;[(2R,3R,4S,5R)-3,4-dibenzoyloxy-5-[6-(dibenzoylamino)-2-nitropurin-9-yl]oxolan-2-yl]methyl benzoate;[(2R,3R,4S,5R)-3,4-dibenzoyloxy-5-[6-(dibenzoylamino)purin-9-yl]oxolan-2-yl]methyl benzoate?

[(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-yl] trifluoromethanesulfonate;[(2R,3S,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] benzoate;(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;[(2R,3R,4S,5R)-3,4-dibenzoyloxy-5-[6-(dibenzoylamino)-2-nitropurin-9-yl]oxolan-2-yl]methyl benzoate;[(2R,3R,4S,5R)-3,4-dibenzoyloxy-5-[6-(dibenzoylamino)purin-9-yl]oxolan-2-yl]methyl benzoate has a molecular weight of 2887.00 g/mol, XLogP of 15.80, 37 rotatable bonds, 8 hydrogen bond donors, and 58 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-yl] trifluoromethanesulfonate;[(2R,3S,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] benzoate;(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;[(2R,3R,4S,5R)-3,4-dibenzoyloxy-5-[6-(dibenzoylamino)-2-nitropurin-9-yl]oxolan-2-yl]methyl benzoate;[(2R,3R,4S,5R)-3,4-dibenzoyloxy-5-[6-(dibenzoylamino)purin-9-yl]oxolan-2-yl]methyl benzoate is sourced from PubChem (CID 158105140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).