N-[[3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl]-4-methoxybenzenesulfonamide;N-[[3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl]-3-methyl-5-(trifluoromethyl)benzamide;2-[[2-(2-fluorocarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-[[2-(2-methylcarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-[[2-(3-methylcarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-(6-methylpurin-9-yl)-5-[[2-[2-(trifluoromethyl)carbazol-9-yl]ethylamino]methyl]oxolane-3,4-diol

C141H147F7N34O22S — CID 162196747

About N-[[3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl]-4-methoxybenzenesulfonamide;N-[[3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl]-3-methyl-5-(trifluoromethyl)benzamide;2-[[2-(2-fluorocarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-[[2-(2-methylcarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-[[2-(3-methylcarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-(6-methylpurin-9-yl)-5-[[2-[2-(trifluoromethyl)carbazol-9-yl]ethylamino]methyl]oxolane-3,4-diol

N-[[3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl]-4-methoxybenzenesulfonamide;N-[[3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl]-3-methyl-5-(trifluoromethyl)benzamide;2-[[2-(2-fluorocarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-[[2-(2-methylcarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-[[2-(3-methylcarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-(6-methylpurin-9-yl)-5-[[2-[2-(trifluoromethyl)carbazol-9-yl]ethylamino]methyl]oxolane-3,4-diol (PubChem CID 162196747) has the molecular formula C141H147F7N34O22S and a molecular weight of 2835.00 g/mol. Its IUPAC name is N-[[3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl]-4-methoxybenzenesulfonamide;N-[[3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl]-3-methyl-5-(trifluoromethyl)benzamide;2-[[2-(2-fluorocarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-[[2-(2-methylcarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-[[2-(3-methylcarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-(6-methylpurin-9-yl)-5-[[2-[2-(trifluoromethyl)carbazol-9-yl]ethylamino]methyl]oxolane-3,4-diol.

Molecular Properties

• Compound Name: N-[[3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl]-4-methoxybenzenesulfonamide;N-[[3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl]-3-methyl-5-(trifluoromethyl)benzamide;2-[[2-(2-fluorocarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-[[2-(2-methylcarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-[[2-(3-methylcarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-(6-methylpurin-9-yl)-5-[[2-[2-(trifluoromethyl)carbazol-9-yl]ethylamino]methyl]oxolane-3,4-diol
• PubChem CID: 162196747
• Molecular Formula: C141H147F7N34O22S
• Molecular Weight: 2835.00 g/mol
• Exact Mass: 2833.10
• IUPAC Name: N-[[3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl]-4-methoxybenzenesulfonamide;N-[[3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl]-3-methyl-5-(trifluoromethyl)benzamide;2-[[2-(2-fluorocarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-[[2-(2-methylcarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-[[2-(3-methylcarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-(6-methylpurin-9-yl)-5-[[2-[2-(trifluoromethyl)carbazol-9-yl]ethylamino]methyl]oxolane-3,4-diol
• SMILES: COc1ccc(S(=O)(=O)NCC2OC(n3cnc4c(C)ncnc43)C(O)C2O)cc1.Cc1cc(C(=O)NCC2OC(n3cnc4c(C)ncnc43)C(O)C2O)cc(C(F)(F)F)c1.Cc1ccc2c(c1)c1ccccc1n2CCNCC1OC(n2cnc3c(C)ncnc32)C(O)C1O.Cc1ccc2c3ccccc3n(CCNCC3OC(n4cnc5c(C)ncnc54)C(O)C3O)c2c1.Cc1ncnc2c1ncn2C1OC(CNCCn2c3ccccc3c3ccc(C(F)(F)F)cc32)C(O)C1O.Cc1ncnc2c1ncn2C1OC(CNCCn2c3ccccc3c3ccc(F)cc32)C(O)C1O
• InChI: InChI=1S/C26H25F3N6O3.2C26H28N6O3.C25H25FN6O3.C20H20F3N5O4.C18H21N5O6S/c1-14-21-24(32-12-31-14)35(13-33-21)25-23(37)22(36)20(38-25)11-30-8-9-34-18-5-3-2-4-16(18)17-7-6-15(10-19(17)34)26(27,28)29;1-15-7-8-20-18(11-15)17-5-3-4-6-19(17)31(20)10-9-27-12-21-23(33)24(34)26(35-21)32-14-30-22-16(2)28-13-29-25(22)32;1-15-7-8-18-17-5-3-4-6-19(17)31(20(18)11-15)10-9-27-12-21-23(33)24(34)26(35-21)32-14-30-22-16(2)28-13-29-25(22)32;1-14-21-24(29-12-28-14)32(13-30-21)25-23(34)22(33)20(35-25)11-27-8-9-31-18-5-3-2-4-16(18)17-7-6-15(26)10-19(17)31;1-9-3-11(5-12(4-9)20(21,22)23)18(31)24-6-13-15(29)16(30)19(32-13)28-8-27-14-10(2)25-7-26-17(14)28;1-10-14-17(20-8-19-10)23(9-21-14)18-16(25)15(24)13(29-18)7-22-30(26,27)12-5-3-11(28-2)4-6-12/h2-7,10,12-13,20,22-23,25,30,36-37H,8-9,11H2,1H3;2*3-8,11,13-14,21,23-24,26-27,33-34H,9-10,12H2,1-2H3;2-7,10,12-13,20,22-23,25,27,33-34H,8-9,11H2,1H3;3-5,7-8,13,15-16,19,29-30H,6H2,1-2H3,(H,24,31);3-6,8-9,13,15-16,18,22,24-25H,7H2,1-2H3
• InChIKey: ZRASLGHNOJRJIN-UHFFFAOYSA-N
• XLogP: 11.63
• TPSA: 712.08 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 54
• Rotatable Bonds: 34
• Heavy Atoms: 205
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2835.00
LogP ≤ 5	11.63
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	54

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl]-4-methoxybenzenesulfonamide;N-[[3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl]-3-methyl-5-(trifluoromethyl)benzamide;2-[[2-(2-fluorocarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-[[2-(2-methylcarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-[[2-(3-methylcarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-(6-methylpurin-9-yl)-5-[[2-[2-(trifluoromethyl)carbazol-9-yl]ethylamino]methyl]oxolane-3,4-diol?

The IUPAC name of N-[[3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl]-4-methoxybenzenesulfonamide;N-[[3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl]-3-methyl-5-(trifluoromethyl)benzamide;2-[[2-(2-fluorocarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-[[2-(2-methylcarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-[[2-(3-methylcarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-(6-methylpurin-9-yl)-5-[[2-[2-(trifluoromethyl)carbazol-9-yl]ethylamino]methyl]oxolane-3,4-diol (CID 162196747) is N-[[3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl]-4-methoxybenzenesulfonamide;N-[[3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl]-3-methyl-5-(trifluoromethyl)benzamide;2-[[2-(2-fluorocarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-[[2-(2-methylcarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-[[2-(3-methylcarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-(6-methylpurin-9-yl)-5-[[2-[2-(trifluoromethyl)carbazol-9-yl]ethylamino]methyl]oxolane-3,4-diol.

What is the SMILES notation for N-[[3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl]-4-methoxybenzenesulfonamide;N-[[3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl]-3-methyl-5-(trifluoromethyl)benzamide;2-[[2-(2-fluorocarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-[[2-(2-methylcarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-[[2-(3-methylcarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-(6-methylpurin-9-yl)-5-[[2-[2-(trifluoromethyl)carbazol-9-yl]ethylamino]methyl]oxolane-3,4-diol?

The canonical SMILES for N-[[3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl]-4-methoxybenzenesulfonamide;N-[[3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl]-3-methyl-5-(trifluoromethyl)benzamide;2-[[2-(2-fluorocarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-[[2-(2-methylcarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-[[2-(3-methylcarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-(6-methylpurin-9-yl)-5-[[2-[2-(trifluoromethyl)carbazol-9-yl]ethylamino]methyl]oxolane-3,4-diol is COc1ccc(S(=O)(=O)NCC2OC(n3cnc4c(C)ncnc43)C(O)C2O)cc1.Cc1cc(C(=O)NCC2OC(n3cnc4c(C)ncnc43)C(O)C2O)cc(C(F)(F)F)c1.Cc1ccc2c(c1)c1ccccc1n2CCNCC1OC(n2cnc3c(C)ncnc32)C(O)C1O.Cc1ccc2c3ccccc3n(CCNCC3OC(n4cnc5c(C)ncnc54)C(O)C3O)c2c1.Cc1ncnc2c1ncn2C1OC(CNCCn2c3ccccc3c3ccc(C(F)(F)F)cc32)C(O)C1O.Cc1ncnc2c1ncn2C1OC(CNCCn2c3ccccc3c3ccc(F)cc32)C(O)C1O.

What is the InChIKey of N-[[3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl]-4-methoxybenzenesulfonamide;N-[[3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl]-3-methyl-5-(trifluoromethyl)benzamide;2-[[2-(2-fluorocarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-[[2-(2-methylcarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-[[2-(3-methylcarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-(6-methylpurin-9-yl)-5-[[2-[2-(trifluoromethyl)carbazol-9-yl]ethylamino]methyl]oxolane-3,4-diol?

The InChIKey is ZRASLGHNOJRJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N6O3.2C26H28N6O3.C25H25FN6O3.C20H20F3N5O4.C18H21N5O6S/c1-14-21-24(32-12-31-14)35(13-33-21)25-23(37)22(36)20(38-25)11-30-8-9-34-18-5-3-2-4-16(18)17-7-6-15(10-19(17)34)26(27,28)29;1-15-7-8-20-18(11-15)17-5-3-4-6-19(17)31(20)10-9-27-12-21-23(33)24(34)26(35-21)32-14-30-22-16(2)28-13-29-25(22)32;1-15-7-8-18-17-5-3-4-6-19(17)31(20(18)11-15)10-9-27-12-21-23(33)24(34)26(35-21)32-14-30-22-16(2)28-13-29-25(22)32;1-14-21-24(29-12-28-14)32(13-30-21)25-23(34)22(33)20(35-25)11-27-8-9-31-18-5-3-2-4-16(18)17-7-6-15(26)10-19(17)31;1-9-3-11(5-12(4-9)20(21,22)23)18(31)24-6-13-15(29)16(30)19(32-13)28-8-27-14-10(2)25-7-26-17(14)28;1-10-14-17(20-8-19-10)23(9-21-14)18-16(25)15(24)13(29-18)7-22-30(26,27)12-5-3-11(28-2)4-6-12/h2-7,10,12-13,20,22-23,25,30,36-37H,8-9,11H2,1H3;2*3-8,11,13-14,21,23-24,26-27,33-34H,9-10,12H2,1-2H3;2-7,10,12-13,20,22-23,25,27,33-34H,8-9,11H2,1H3;3-5,7-8,13,15-16,19,29-30H,6H2,1-2H3,(H,24,31);3-6,8-9,13,15-16,18,22,24-25H,7H2,1-2H3.

What are the key properties of N-[[3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl]-4-methoxybenzenesulfonamide;N-[[3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl]-3-methyl-5-(trifluoromethyl)benzamide;2-[[2-(2-fluorocarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-[[2-(2-methylcarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-[[2-(3-methylcarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-(6-methylpurin-9-yl)-5-[[2-[2-(trifluoromethyl)carbazol-9-yl]ethylamino]methyl]oxolane-3,4-diol?

N-[[3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl]-4-methoxybenzenesulfonamide;N-[[3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl]-3-methyl-5-(trifluoromethyl)benzamide;2-[[2-(2-fluorocarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-[[2-(2-methylcarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-[[2-(3-methylcarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-(6-methylpurin-9-yl)-5-[[2-[2-(trifluoromethyl)carbazol-9-yl]ethylamino]methyl]oxolane-3,4-diol has a molecular weight of 2835.00 g/mol, XLogP of 11.63, 34 rotatable bonds, 18 hydrogen bond donors, and 54 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl]-4-methoxybenzenesulfonamide;N-[[3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl]-3-methyl-5-(trifluoromethyl)benzamide;2-[[2-(2-fluorocarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-[[2-(2-methylcarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-[[2-(3-methylcarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-(6-methylpurin-9-yl)-5-[[2-[2-(trifluoromethyl)carbazol-9-yl]ethylamino]methyl]oxolane-3,4-diol is sourced from PubChem (CID 162196747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).