[(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-ethyl-4-methyloxolan-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,3S,4R,5R)-2-[6-(dibenzoylamino)-2-nitropurin-9-yl]-5-ethyl-4-methyloxolan-3-yl] benzoate;[(2R,3S,4R,5R)-2-[6-(dibenzoylamino)purin-9-yl]-5-ethyl-4-methyloxolan-3-yl] benzoate

C106H103F3N26O25S — CID 157339405

About [(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-ethyl-4-methyloxolan-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,3S,4R,5R)-2-[6-(dibenzoylamino)-2-nitropurin-9-yl]-5-ethyl-4-methyloxolan-3-yl] benzoate;[(2R,3S,4R,5R)-2-[6-(dibenzoylamino)purin-9-yl]-5-ethyl-4-methyloxolan-3-yl] benzoate

[(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-ethyl-4-methyloxolan-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,3S,4R,5R)-2-[6-(dibenzoylamino)-2-nitropurin-9-yl]-5-ethyl-4-methyloxolan-3-yl] benzoate;[(2R,3S,4R,5R)-2-[6-(dibenzoylamino)purin-9-yl]-5-ethyl-4-methyloxolan-3-yl] benzoate (PubChem CID 157339405) has the molecular formula C106H103F3N26O25S and a molecular weight of 2230.21 g/mol. Its IUPAC name is [(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-ethyl-4-methyloxolan-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,3S,4R,5R)-2-[6-(dibenzoylamino)-2-nitropurin-9-yl]-5-ethyl-4-methyloxolan-3-yl] benzoate;[(2R,3S,4R,5R)-2-[6-(dibenzoylamino)purin-9-yl]-5-ethyl-4-methyloxolan-3-yl] benzoate.

Molecular Properties

• Compound Name: [(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-ethyl-4-methyloxolan-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,3S,4R,5R)-2-[6-(dibenzoylamino)-2-nitropurin-9-yl]-5-ethyl-4-methyloxolan-3-yl] benzoate;[(2R,3S,4R,5R)-2-[6-(dibenzoylamino)purin-9-yl]-5-ethyl-4-methyloxolan-3-yl] benzoate
• PubChem CID: 157339405
• Molecular Formula: C106H103F3N26O25S
• Molecular Weight: 2230.21 g/mol
• Exact Mass: 2228.73
• IUPAC Name: [(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-ethyl-4-methyloxolan-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,3S,4R,5R)-2-[6-(dibenzoylamino)-2-nitropurin-9-yl]-5-ethyl-4-methyloxolan-3-yl] benzoate;[(2R,3S,4R,5R)-2-[6-(dibenzoylamino)purin-9-yl]-5-ethyl-4-methyloxolan-3-yl] benzoate
• SMILES: CC[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]1C.CC[C@H]1O[C@@H](n2cnc3c(N(C(=O)c4ccccc4)C(=O)c4ccccc4)ncnc32)[C@@H](OC(=O)c2ccccc2)[C@@H]1C.CC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](OS(=O)(=O)C(F)(F)F)[C@@H]1C.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
• InChI: InChI=1S/C33H28N6O7.C33H29N5O5.C17H17N5O5.C13H16F3N5O4S.C10H13N5O4/c1-3-24-20(2)26(46-32(42)23-17-11-6-12-18-23)31(45-24)37-19-34-25-27(37)35-33(39(43)44)36-28(25)38(29(40)21-13-7-4-8-14-21)30(41)22-15-9-5-10-16-22;1-3-25-21(2)27(43-33(41)24-17-11-6-12-18-24)32(42-25)37-20-36-26-28(37)34-19-35-29(26)38(30(39)22-13-7-4-8-14-22)31(40)23-15-9-5-10-16-23;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;1-3-7-6(2)9(25-26(22,23)13(14,15)16)12(24-7)21-5-20-8-10(17)18-4-19-11(8)21;11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h4-20,24,26,31H,3H2,1-2H3;4-21,25,27,32H,3H2,1-2H3;1-5,7-8,10,12-13,16,23-24H,6H2,(H2,18,19,20);4-7,9,12H,3H2,1-2H3,(H2,17,18,19);2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t20-,24-,26+,31-;21-,25-,27+,32-;10-,12-,13+,16-;6-,7-,9-,12-;4-,6-,7-,10-/m11111/s1
• InChIKey: BGFKUDPMSNYVHH-PLRSTPJYSA-N
• XLogP: 10.36
• TPSA: 683.53 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 48
• Rotatable Bonds: 25
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2230.21
LogP ≤ 5	10.36
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	48

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', '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'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-ethyl-4-methyloxolan-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,3S,4R,5R)-2-[6-(dibenzoylamino)-2-nitropurin-9-yl]-5-ethyl-4-methyloxolan-3-yl] benzoate;[(2R,3S,4R,5R)-2-[6-(dibenzoylamino)purin-9-yl]-5-ethyl-4-methyloxolan-3-yl] benzoate?

The IUPAC name of [(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-ethyl-4-methyloxolan-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,3S,4R,5R)-2-[6-(dibenzoylamino)-2-nitropurin-9-yl]-5-ethyl-4-methyloxolan-3-yl] benzoate;[(2R,3S,4R,5R)-2-[6-(dibenzoylamino)purin-9-yl]-5-ethyl-4-methyloxolan-3-yl] benzoate (CID 157339405) is [(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-ethyl-4-methyloxolan-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,3S,4R,5R)-2-[6-(dibenzoylamino)-2-nitropurin-9-yl]-5-ethyl-4-methyloxolan-3-yl] benzoate;[(2R,3S,4R,5R)-2-[6-(dibenzoylamino)purin-9-yl]-5-ethyl-4-methyloxolan-3-yl] benzoate.

What is the SMILES notation for [(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-ethyl-4-methyloxolan-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,3S,4R,5R)-2-[6-(dibenzoylamino)-2-nitropurin-9-yl]-5-ethyl-4-methyloxolan-3-yl] benzoate;[(2R,3S,4R,5R)-2-[6-(dibenzoylamino)purin-9-yl]-5-ethyl-4-methyloxolan-3-yl] benzoate?

The canonical SMILES for [(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-ethyl-4-methyloxolan-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,3S,4R,5R)-2-[6-(dibenzoylamino)-2-nitropurin-9-yl]-5-ethyl-4-methyloxolan-3-yl] benzoate;[(2R,3S,4R,5R)-2-[6-(dibenzoylamino)purin-9-yl]-5-ethyl-4-methyloxolan-3-yl] benzoate is CC[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]1C.CC[C@H]1O[C@@H](n2cnc3c(N(C(=O)c4ccccc4)C(=O)c4ccccc4)ncnc32)[C@@H](OC(=O)c2ccccc2)[C@@H]1C.CC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](OS(=O)(=O)C(F)(F)F)[C@@H]1C.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.

What is the InChIKey of [(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-ethyl-4-methyloxolan-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,3S,4R,5R)-2-[6-(dibenzoylamino)-2-nitropurin-9-yl]-5-ethyl-4-methyloxolan-3-yl] benzoate;[(2R,3S,4R,5R)-2-[6-(dibenzoylamino)purin-9-yl]-5-ethyl-4-methyloxolan-3-yl] benzoate?

The InChIKey is BGFKUDPMSNYVHH-PLRSTPJYSA-N. The full InChI is InChI=1S/C33H28N6O7.C33H29N5O5.C17H17N5O5.C13H16F3N5O4S.C10H13N5O4/c1-3-24-20(2)26(46-32(42)23-17-11-6-12-18-23)31(45-24)37-19-34-25-27(37)35-33(39(43)44)36-28(25)38(29(40)21-13-7-4-8-14-21)30(41)22-15-9-5-10-16-22;1-3-25-21(2)27(43-33(41)24-17-11-6-12-18-24)32(42-25)37-20-36-26-28(37)34-19-35-29(26)38(30(39)22-13-7-4-8-14-22)31(40)23-15-9-5-10-16-23;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;1-3-7-6(2)9(25-26(22,23)13(14,15)16)12(24-7)21-5-20-8-10(17)18-4-19-11(8)21;11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h4-20,24,26,31H,3H2,1-2H3;4-21,25,27,32H,3H2,1-2H3;1-5,7-8,10,12-13,16,23-24H,6H2,(H2,18,19,20);4-7,9,12H,3H2,1-2H3,(H2,17,18,19);2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t20-,24-,26+,31-;21-,25-,27+,32-;10-,12-,13+,16-;6-,7-,9-,12-;4-,6-,7-,10-/m11111/s1.

What are the key properties of [(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-ethyl-4-methyloxolan-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,3S,4R,5R)-2-[6-(dibenzoylamino)-2-nitropurin-9-yl]-5-ethyl-4-methyloxolan-3-yl] benzoate;[(2R,3S,4R,5R)-2-[6-(dibenzoylamino)purin-9-yl]-5-ethyl-4-methyloxolan-3-yl] benzoate?

[(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-ethyl-4-methyloxolan-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,3S,4R,5R)-2-[6-(dibenzoylamino)-2-nitropurin-9-yl]-5-ethyl-4-methyloxolan-3-yl] benzoate;[(2R,3S,4R,5R)-2-[6-(dibenzoylamino)purin-9-yl]-5-ethyl-4-methyloxolan-3-yl] benzoate has a molecular weight of 2230.21 g/mol, XLogP of 10.36, 25 rotatable bonds, 8 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-ethyl-4-methyloxolan-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,3S,4R,5R)-2-[6-(dibenzoylamino)-2-nitropurin-9-yl]-5-ethyl-4-methyloxolan-3-yl] benzoate;[(2R,3S,4R,5R)-2-[6-(dibenzoylamino)purin-9-yl]-5-ethyl-4-methyloxolan-3-yl] benzoate is sourced from PubChem (CID 157339405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).