[(3aS,10aS)-2,6-diamino-10,10-dihydroxy-4-[(3-oxo-1H-isoindol-2-yl)methyl]-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] benzoate;[(3aS,10aS)-2,6-diamino-10,10-dihydroxy-4-[(3-oxo-1H-isoindol-2-yl)methyl]-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 2,5-bis(trifluoromethyl)benzoate;[(3aS,10aS)-2,6-diamino-4-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 2-methyl-5-(trifluoromethyl)benzoate;[(3aS,10aS)-2,6-diamino-4-[(1,3-dioxoisoindol-2-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] benzoate;[(3aS,10aS)-2,6-diamino-4-[(1,3-dioxoisoindol-2-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 2,5-bis(trifluoromethyl)benzoate

C126H122F15N35O28 — CID 161021599

About [(3aS,10aS)-2,6-diamino-10,10-dihydroxy-4-[(3-oxo-1H-isoindol-2-yl)methyl]-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] benzoate;[(3aS,10aS)-2,6-diamino-10,10-dihydroxy-4-[(3-oxo-1H-isoindol-2-yl)methyl]-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 2,5-bis(trifluoromethyl)benzoate;[(3aS,10aS)-2,6-diamino-4-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 2-methyl-5-(trifluoromethyl)benzoate;[(3aS,10aS)-2,6-diamino-4-[(1,3-dioxoisoindol-2-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] benzoate;[(3aS,10aS)-2,6-diamino-4-[(1,3-dioxoisoindol-2-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 2,5-bis(trifluoromethyl)benzoate

[(3aS,10aS)-2,6-diamino-10,10-dihydroxy-4-[(3-oxo-1H-isoindol-2-yl)methyl]-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] benzoate;[(3aS,10aS)-2,6-diamino-10,10-dihydroxy-4-[(3-oxo-1H-isoindol-2-yl)methyl]-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 2,5-bis(trifluoromethyl)benzoate;[(3aS,10aS)-2,6-diamino-4-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 2-methyl-5-(trifluoromethyl)benzoate;[(3aS,10aS)-2,6-diamino-4-[(1,3-dioxoisoindol-2-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] benzoate;[(3aS,10aS)-2,6-diamino-4-[(1,3-dioxoisoindol-2-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 2,5-bis(trifluoromethyl)benzoate (PubChem CID 161021599) has the molecular formula C126H122F15N35O28 and a molecular weight of 2859.55 g/mol. Its IUPAC name is [(3aS,10aS)-2,6-diamino-10,10-dihydroxy-4-[(3-oxo-1H-isoindol-2-yl)methyl]-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] benzoate;[(3aS,10aS)-2,6-diamino-10,10-dihydroxy-4-[(3-oxo-1H-isoindol-2-yl)methyl]-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 2,5-bis(trifluoromethyl)benzoate;[(3aS,10aS)-2,6-diamino-4-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 2-methyl-5-(trifluoromethyl)benzoate;[(3aS,10aS)-2,6-diamino-4-[(1,3-dioxoisoindol-2-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] benzoate;[(3aS,10aS)-2,6-diamino-4-[(1,3-dioxoisoindol-2-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 2,5-bis(trifluoromethyl)benzoate.

Molecular Properties

• Compound Name: [(3aS,10aS)-2,6-diamino-10,10-dihydroxy-4-[(3-oxo-1H-isoindol-2-yl)methyl]-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] benzoate;[(3aS,10aS)-2,6-diamino-10,10-dihydroxy-4-[(3-oxo-1H-isoindol-2-yl)methyl]-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 2,5-bis(trifluoromethyl)benzoate;[(3aS,10aS)-2,6-diamino-4-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 2-methyl-5-(trifluoromethyl)benzoate;[(3aS,10aS)-2,6-diamino-4-[(1,3-dioxoisoindol-2-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] benzoate;[(3aS,10aS)-2,6-diamino-4-[(1,3-dioxoisoindol-2-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 2,5-bis(trifluoromethyl)benzoate
• PubChem CID: 161021599
• Molecular Formula: C126H122F15N35O28
• Molecular Weight: 2859.55 g/mol
• Exact Mass: 2857.90
• IUPAC Name: [(3aS,10aS)-2,6-diamino-10,10-dihydroxy-4-[(3-oxo-1H-isoindol-2-yl)methyl]-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] benzoate;[(3aS,10aS)-2,6-diamino-10,10-dihydroxy-4-[(3-oxo-1H-isoindol-2-yl)methyl]-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 2,5-bis(trifluoromethyl)benzoate;[(3aS,10aS)-2,6-diamino-4-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 2-methyl-5-(trifluoromethyl)benzoate;[(3aS,10aS)-2,6-diamino-4-[(1,3-dioxoisoindol-2-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] benzoate;[(3aS,10aS)-2,6-diamino-4-[(1,3-dioxoisoindol-2-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 2,5-bis(trifluoromethyl)benzoate
• SMILES: Cc1ccc(C(F)(F)F)cc1C(=O)OC1CN2C(N)=NC(CN3C(=O)C4CCCCC4C3=O)[C@@H]3N=C(N)N[C@@]32C1(O)O.NC1=N[C@H]2C(CN3C(=O)c4ccccc4C3=O)N=C(N)N3CC(OC(=O)c4cc(C(F)(F)F)ccc4C(F)(F)F)C(O)(O)[C@]23N1.NC1=N[C@H]2C(CN3C(=O)c4ccccc4C3=O)N=C(N)N3CC(OC(=O)c4ccccc4)C(O)(O)[C@]23N1.NC1=N[C@H]2C(CN3Cc4ccccc4C3=O)N=C(N)N3CC(OC(=O)c4cc(C(F)(F)F)ccc4C(F)(F)F)C(O)(O)[C@]23N1.NC1=N[C@H]2C(CN3Cc4ccccc4C3=O)N=C(N)N3CC(OC(=O)c4ccccc4)C(O)(O)[C@]23N1
• InChI: InChI=1S/C26H21F6N7O6.C26H23F6N7O5.C26H30F3N7O6.C24H23N7O6.C24H25N7O5/c27-25(28,29)10-5-6-14(26(30,31)32)13(7-10)20(42)45-16-9-39-22(34)35-15(17-23(39,24(16,43)44)37-21(33)36-17)8-38-18(40)11-3-1-2-4-12(11)19(38)41;27-25(28,29)12-5-6-15(26(30,31)32)14(7-12)20(41)44-17-10-39-22(34)35-16(18-23(39,24(17,42)43)37-21(33)36-18)9-38-8-11-3-1-2-4-13(11)19(38)40;1-11-6-7-12(26(27,28)29)8-15(11)21(39)42-17-10-36-23(31)32-16(18-24(36,25(17,40)41)34-22(30)33-18)9-35-19(37)13-4-2-3-5-14(13)20(35)38;25-21-28-17-15(10-30-18(32)13-8-4-5-9-14(13)19(30)33)27-22(26)31-11-16(24(35,36)23(17,31)29-21)37-20(34)12-6-2-1-3-7-12;25-21-28-18-16(11-30-10-14-8-4-5-9-15(14)19(30)32)27-22(26)31-12-17(24(34,35)23(18,31)29-21)36-20(33)13-6-2-1-3-7-13/h1-7,15-17,43-44H,8-9H2,(H2,34,35)(H3,33,36,37);1-7,16-18,42-43H,8-10H2,(H2,34,35)(H3,33,36,37);6-8,13-14,16-18,40-41H,2-5,9-10H2,1H3,(H2,31,32)(H3,30,33,34);1-9,15-17,35-36H,10-11H2,(H2,26,27)(H3,25,28,29);1-9,16-18,34-35H,10-12H2,(H2,26,27)(H3,25,28,29)/t15?,16?,17-,23-;16?,17?,18-,23-;13?,14?,16?,17?,18-,24-;15?,16?,17-,23-;16?,17?,18-,23-/m00000/s1
• InChIKey: TYLHLLMAUWPJHW-QMDHVPSCSA-N
• XLogP: -3.08
• TPSA: 946.71 Ų
• H-Bond Donors: 25
• H-Bond Acceptors: 58
• Rotatable Bonds: 20
• Heavy Atoms: 204
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2859.55
LogP ≤ 5	-3.08
H-Bond Donors ≤ 5	25
H-Bond Acceptors ≤ 10	58

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(3aS,10aS)-2,6-diamino-10,10-dihydroxy-4-[(3-oxo-1H-isoindol-2-yl)methyl]-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] benzoate;[(3aS,10aS)-2,6-diamino-10,10-dihydroxy-4-[(3-oxo-1H-isoindol-2-yl)methyl]-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 2,5-bis(trifluoromethyl)benzoate;[(3aS,10aS)-2,6-diamino-4-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 2-methyl-5-(trifluoromethyl)benzoate;[(3aS,10aS)-2,6-diamino-4-[(1,3-dioxoisoindol-2-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] benzoate;[(3aS,10aS)-2,6-diamino-4-[(1,3-dioxoisoindol-2-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 2,5-bis(trifluoromethyl)benzoate?

The IUPAC name of [(3aS,10aS)-2,6-diamino-10,10-dihydroxy-4-[(3-oxo-1H-isoindol-2-yl)methyl]-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] benzoate;[(3aS,10aS)-2,6-diamino-10,10-dihydroxy-4-[(3-oxo-1H-isoindol-2-yl)methyl]-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 2,5-bis(trifluoromethyl)benzoate;[(3aS,10aS)-2,6-diamino-4-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 2-methyl-5-(trifluoromethyl)benzoate;[(3aS,10aS)-2,6-diamino-4-[(1,3-dioxoisoindol-2-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] benzoate;[(3aS,10aS)-2,6-diamino-4-[(1,3-dioxoisoindol-2-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 2,5-bis(trifluoromethyl)benzoate (CID 161021599) is [(3aS,10aS)-2,6-diamino-10,10-dihydroxy-4-[(3-oxo-1H-isoindol-2-yl)methyl]-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] benzoate;[(3aS,10aS)-2,6-diamino-10,10-dihydroxy-4-[(3-oxo-1H-isoindol-2-yl)methyl]-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 2,5-bis(trifluoromethyl)benzoate;[(3aS,10aS)-2,6-diamino-4-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 2-methyl-5-(trifluoromethyl)benzoate;[(3aS,10aS)-2,6-diamino-4-[(1,3-dioxoisoindol-2-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] benzoate;[(3aS,10aS)-2,6-diamino-4-[(1,3-dioxoisoindol-2-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 2,5-bis(trifluoromethyl)benzoate.

What is the SMILES notation for [(3aS,10aS)-2,6-diamino-10,10-dihydroxy-4-[(3-oxo-1H-isoindol-2-yl)methyl]-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] benzoate;[(3aS,10aS)-2,6-diamino-10,10-dihydroxy-4-[(3-oxo-1H-isoindol-2-yl)methyl]-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 2,5-bis(trifluoromethyl)benzoate;[(3aS,10aS)-2,6-diamino-4-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 2-methyl-5-(trifluoromethyl)benzoate;[(3aS,10aS)-2,6-diamino-4-[(1,3-dioxoisoindol-2-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] benzoate;[(3aS,10aS)-2,6-diamino-4-[(1,3-dioxoisoindol-2-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 2,5-bis(trifluoromethyl)benzoate?

The canonical SMILES for [(3aS,10aS)-2,6-diamino-10,10-dihydroxy-4-[(3-oxo-1H-isoindol-2-yl)methyl]-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] benzoate;[(3aS,10aS)-2,6-diamino-10,10-dihydroxy-4-[(3-oxo-1H-isoindol-2-yl)methyl]-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 2,5-bis(trifluoromethyl)benzoate;[(3aS,10aS)-2,6-diamino-4-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 2-methyl-5-(trifluoromethyl)benzoate;[(3aS,10aS)-2,6-diamino-4-[(1,3-dioxoisoindol-2-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] benzoate;[(3aS,10aS)-2,6-diamino-4-[(1,3-dioxoisoindol-2-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 2,5-bis(trifluoromethyl)benzoate is Cc1ccc(C(F)(F)F)cc1C(=O)OC1CN2C(N)=NC(CN3C(=O)C4CCCCC4C3=O)[C@@H]3N=C(N)N[C@@]32C1(O)O.NC1=N[C@H]2C(CN3C(=O)c4ccccc4C3=O)N=C(N)N3CC(OC(=O)c4cc(C(F)(F)F)ccc4C(F)(F)F)C(O)(O)[C@]23N1.NC1=N[C@H]2C(CN3C(=O)c4ccccc4C3=O)N=C(N)N3CC(OC(=O)c4ccccc4)C(O)(O)[C@]23N1.NC1=N[C@H]2C(CN3Cc4ccccc4C3=O)N=C(N)N3CC(OC(=O)c4cc(C(F)(F)F)ccc4C(F)(F)F)C(O)(O)[C@]23N1.NC1=N[C@H]2C(CN3Cc4ccccc4C3=O)N=C(N)N3CC(OC(=O)c4ccccc4)C(O)(O)[C@]23N1.

What is the InChIKey of [(3aS,10aS)-2,6-diamino-10,10-dihydroxy-4-[(3-oxo-1H-isoindol-2-yl)methyl]-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] benzoate;[(3aS,10aS)-2,6-diamino-10,10-dihydroxy-4-[(3-oxo-1H-isoindol-2-yl)methyl]-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 2,5-bis(trifluoromethyl)benzoate;[(3aS,10aS)-2,6-diamino-4-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 2-methyl-5-(trifluoromethyl)benzoate;[(3aS,10aS)-2,6-diamino-4-[(1,3-dioxoisoindol-2-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] benzoate;[(3aS,10aS)-2,6-diamino-4-[(1,3-dioxoisoindol-2-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 2,5-bis(trifluoromethyl)benzoate?

The InChIKey is TYLHLLMAUWPJHW-QMDHVPSCSA-N. The full InChI is InChI=1S/C26H21F6N7O6.C26H23F6N7O5.C26H30F3N7O6.C24H23N7O6.C24H25N7O5/c27-25(28,29)10-5-6-14(26(30,31)32)13(7-10)20(42)45-16-9-39-22(34)35-15(17-23(39,24(16,43)44)37-21(33)36-17)8-38-18(40)11-3-1-2-4-12(11)19(38)41;27-25(28,29)12-5-6-15(26(30,31)32)14(7-12)20(41)44-17-10-39-22(34)35-16(18-23(39,24(17,42)43)37-21(33)36-18)9-38-8-11-3-1-2-4-13(11)19(38)40;1-11-6-7-12(26(27,28)29)8-15(11)21(39)42-17-10-36-23(31)32-16(18-24(36,25(17,40)41)34-22(30)33-18)9-35-19(37)13-4-2-3-5-14(13)20(35)38;25-21-28-17-15(10-30-18(32)13-8-4-5-9-14(13)19(30)33)27-22(26)31-11-16(24(35,36)23(17,31)29-21)37-20(34)12-6-2-1-3-7-12;25-21-28-18-16(11-30-10-14-8-4-5-9-15(14)19(30)32)27-22(26)31-12-17(24(34,35)23(18,31)29-21)36-20(33)13-6-2-1-3-7-13/h1-7,15-17,43-44H,8-9H2,(H2,34,35)(H3,33,36,37);1-7,16-18,42-43H,8-10H2,(H2,34,35)(H3,33,36,37);6-8,13-14,16-18,40-41H,2-5,9-10H2,1H3,(H2,31,32)(H3,30,33,34);1-9,15-17,35-36H,10-11H2,(H2,26,27)(H3,25,28,29);1-9,16-18,34-35H,10-12H2,(H2,26,27)(H3,25,28,29)/t15?,16?,17-,23-;16?,17?,18-,23-;13?,14?,16?,17?,18-,24-;15?,16?,17-,23-;16?,17?,18-,23-/m00000/s1.

What are the key properties of [(3aS,10aS)-2,6-diamino-10,10-dihydroxy-4-[(3-oxo-1H-isoindol-2-yl)methyl]-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] benzoate;[(3aS,10aS)-2,6-diamino-10,10-dihydroxy-4-[(3-oxo-1H-isoindol-2-yl)methyl]-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 2,5-bis(trifluoromethyl)benzoate;[(3aS,10aS)-2,6-diamino-4-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 2-methyl-5-(trifluoromethyl)benzoate;[(3aS,10aS)-2,6-diamino-4-[(1,3-dioxoisoindol-2-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] benzoate;[(3aS,10aS)-2,6-diamino-4-[(1,3-dioxoisoindol-2-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 2,5-bis(trifluoromethyl)benzoate?

[(3aS,10aS)-2,6-diamino-10,10-dihydroxy-4-[(3-oxo-1H-isoindol-2-yl)methyl]-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] benzoate;[(3aS,10aS)-2,6-diamino-10,10-dihydroxy-4-[(3-oxo-1H-isoindol-2-yl)methyl]-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 2,5-bis(trifluoromethyl)benzoate;[(3aS,10aS)-2,6-diamino-4-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 2-methyl-5-(trifluoromethyl)benzoate;[(3aS,10aS)-2,6-diamino-4-[(1,3-dioxoisoindol-2-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] benzoate;[(3aS,10aS)-2,6-diamino-4-[(1,3-dioxoisoindol-2-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 2,5-bis(trifluoromethyl)benzoate has a molecular weight of 2859.55 g/mol, XLogP of -3.08, 20 rotatable bonds, 25 hydrogen bond donors, and 58 hydrogen bond acceptors.

Where does this data come from?

All data for [(3aS,10aS)-2,6-diamino-10,10-dihydroxy-4-[(3-oxo-1H-isoindol-2-yl)methyl]-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] benzoate;[(3aS,10aS)-2,6-diamino-10,10-dihydroxy-4-[(3-oxo-1H-isoindol-2-yl)methyl]-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 2,5-bis(trifluoromethyl)benzoate;[(3aS,10aS)-2,6-diamino-4-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 2-methyl-5-(trifluoromethyl)benzoate;[(3aS,10aS)-2,6-diamino-4-[(1,3-dioxoisoindol-2-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] benzoate;[(3aS,10aS)-2,6-diamino-4-[(1,3-dioxoisoindol-2-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 2,5-bis(trifluoromethyl)benzoate is sourced from PubChem (CID 161021599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).