[(3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-4-(hydroxymethyl)-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate;[(3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-4-(hydroxymethyl)-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 2,2-dimethylpropanoate;[(3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-4-(hydroxymethyl)-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 1H-indazole-7-carboxylate;[(3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-4-(hydroxymethyl)-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 1-methylcyclobutane-1-carboxylate;[(3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-4-(hydroxymethyl)-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 1-methylcyclopropane-1-carboxylate;[(3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-4-(hydroxymethyl)-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 2-phenylbenzoate

C101H137ClN38O30 — CID 159019642

About [(3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-4-(hydroxymethyl)-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate;[(3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-4-(hydroxymethyl)-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 2,2-dimethylpropanoate;[(3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-4-(hydroxymethyl)-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 1H-indazole-7-carboxylate;[(3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-4-(hydroxymethyl)-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 1-methylcyclobutane-1-carboxylate;[(3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-4-(hydroxymethyl)-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 1-methylcyclopropane-1-carboxylate;[(3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-4-(hydroxymethyl)-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 2-phenylbenzoate

[(3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-4-(hydroxymethyl)-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate;[(3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-4-(hydroxymethyl)-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 2,2-dimethylpropanoate;[(3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-4-(hydroxymethyl)-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 1H-indazole-7-carboxylate;[(3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-4-(hydroxymethyl)-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 1-methylcyclobutane-1-carboxylate;[(3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-4-(hydroxymethyl)-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 1-methylcyclopropane-1-carboxylate;[(3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-4-(hydroxymethyl)-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 2-phenylbenzoate (PubChem CID 159019642) has the molecular formula C101H137ClN38O30 and a molecular weight of 2398.90 g/mol. Its IUPAC name is [(3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-4-(hydroxymethyl)-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate;[(3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-4-(hydroxymethyl)-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 2,2-dimethylpropanoate;[(3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-4-(hydroxymethyl)-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 1H-indazole-7-carboxylate;[(3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-4-(hydroxymethyl)-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 1-methylcyclobutane-1-carboxylate;[(3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-4-(hydroxymethyl)-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 1-methylcyclopropane-1-carboxylate;[(3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-4-(hydroxymethyl)-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 2-phenylbenzoate.

Molecular Properties

• Compound Name: [(3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-4-(hydroxymethyl)-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate;[(3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-4-(hydroxymethyl)-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 2,2-dimethylpropanoate;[(3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-4-(hydroxymethyl)-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 1H-indazole-7-carboxylate;[(3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-4-(hydroxymethyl)-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 1-methylcyclobutane-1-carboxylate;[(3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-4-(hydroxymethyl)-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 1-methylcyclopropane-1-carboxylate;[(3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-4-(hydroxymethyl)-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 2-phenylbenzoate
• PubChem CID: 159019642
• Molecular Formula: C101H137ClN38O30
• Molecular Weight: 2398.90 g/mol
• Exact Mass: 2397.01
• IUPAC Name: [(3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-4-(hydroxymethyl)-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate;[(3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-4-(hydroxymethyl)-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 2,2-dimethylpropanoate;[(3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-4-(hydroxymethyl)-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 1H-indazole-7-carboxylate;[(3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-4-(hydroxymethyl)-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 1-methylcyclobutane-1-carboxylate;[(3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-4-(hydroxymethyl)-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 1-methylcyclopropane-1-carboxylate;[(3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-4-(hydroxymethyl)-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 2-phenylbenzoate
• SMILES: CC(C)(C)C(=O)O[C@H]1CN2C(N)=N[C@@H](CO)[C@@H]3N=C(N)N[C@@]32C1(O)O.CC1(C(=O)O[C@H]2CN3C(N)=N[C@@H](CO)[C@@H]4N=C(N)N[C@@]43C2(O)O)CC1.CC1(C(=O)O[C@H]2CN3C(N)=N[C@@H](CO)[C@@H]4N=C(N)N[C@@]43C2(O)O)CCC1.NC1=N[C@H]2[C@H](CO)N=C(N)N3C[C@H](OC(=O)C4(c5ccc(Cl)cc5)CC4)C(O)(O)[C@]23N1.NC1=N[C@H]2[C@H](CO)N=C(N)N3C[C@H](OC(=O)c4cccc5cn[nH]c45)C(O)(O)[C@]23N1.NC1=N[C@H]2[C@H](CO)N=C(N)N3C[C@H](OC(=O)c4ccccc4-c4ccccc4)C(O)(O)[C@]23N1
• InChI: InChI=1S/C22H24N6O5.C19H23ClN6O5.C17H20N8O5.C15H24N6O5.C14H22N6O5.C14H24N6O5/c23-19-26-17-15(11-29)25-20(24)28-10-16(22(31,32)21(17,28)27-19)33-18(30)14-9-5-4-8-13(14)12-6-2-1-3-7-12;20-10-3-1-9(2-4-10)17(5-6-17)14(28)31-12-7-26-16(22)23-11(8-27)13-18(26,19(12,29)30)25-15(21)24-13;18-14-22-12-9(6-26)21-15(19)25-5-10(17(28,29)16(12,25)23-14)30-13(27)8-3-1-2-7-4-20-24-11(7)8;1-13(3-2-4-13)10(23)26-8-5-21-12(17)18-7(6-22)9-14(21,15(8,24)25)20-11(16)19-9;1-12(2-3-12)9(22)25-7-4-20-11(16)17-6(5-21)8-13(20,14(7,23)24)19-10(15)18-8;1-12(2,3)9(22)25-7-4-20-11(16)17-6(5-21)8-13(20,14(7,23)24)19-10(15)18-8/h1-9,15-17,29,31-32H,10-11H2,(H2,24,25)(H3,23,26,27);1-4,11-13,27,29-30H,5-8H2,(H2,22,23)(H3,21,24,25);1-4,9-10,12,26,28-29H,5-6H2,(H2,19,21)(H,20,24)(H3,18,22,23);7-9,22,24-25H,2-6H2,1H3,(H2,17,18)(H3,16,19,20);6-8,21,23-24H,2-5H2,1H3,(H2,16,17)(H3,15,18,19);6-8,21,23-24H,4-5H2,1-3H3,(H2,16,17)(H3,15,18,19)/t15-,16-,17-,21-;11-,12-,13-,18-;9-,10-,12-,16-;7-,8-,9-,14-;2*6-,7-,8-,13-/m000000/s1
• InChIKey: JTNHSIHMLCGMKT-SPVULSGCSA-N
• XLogP: -17.01
• TPSA: 1102.80 Ų
• H-Bond Donors: 37
• H-Bond Acceptors: 67
• Rotatable Bonds: 19
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2398.90
LogP ≤ 5	-17.01
H-Bond Donors ≤ 5	37
H-Bond Acceptors ≤ 10	67

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-4-(hydroxymethyl)-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate;[(3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-4-(hydroxymethyl)-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 2,2-dimethylpropanoate;[(3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-4-(hydroxymethyl)-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 1H-indazole-7-carboxylate;[(3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-4-(hydroxymethyl)-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 1-methylcyclobutane-1-carboxylate;[(3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-4-(hydroxymethyl)-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 1-methylcyclopropane-1-carboxylate;[(3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-4-(hydroxymethyl)-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 2-phenylbenzoate?

The IUPAC name of [(3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-4-(hydroxymethyl)-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate;[(3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-4-(hydroxymethyl)-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 2,2-dimethylpropanoate;[(3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-4-(hydroxymethyl)-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 1H-indazole-7-carboxylate;[(3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-4-(hydroxymethyl)-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 1-methylcyclobutane-1-carboxylate;[(3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-4-(hydroxymethyl)-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 1-methylcyclopropane-1-carboxylate;[(3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-4-(hydroxymethyl)-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 2-phenylbenzoate (CID 159019642) is [(3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-4-(hydroxymethyl)-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate;[(3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-4-(hydroxymethyl)-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 2,2-dimethylpropanoate;[(3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-4-(hydroxymethyl)-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 1H-indazole-7-carboxylate;[(3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-4-(hydroxymethyl)-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 1-methylcyclobutane-1-carboxylate;[(3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-4-(hydroxymethyl)-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 1-methylcyclopropane-1-carboxylate;[(3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-4-(hydroxymethyl)-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 2-phenylbenzoate.

What is the SMILES notation for [(3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-4-(hydroxymethyl)-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate;[(3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-4-(hydroxymethyl)-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 2,2-dimethylpropanoate;[(3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-4-(hydroxymethyl)-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 1H-indazole-7-carboxylate;[(3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-4-(hydroxymethyl)-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 1-methylcyclobutane-1-carboxylate;[(3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-4-(hydroxymethyl)-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 1-methylcyclopropane-1-carboxylate;[(3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-4-(hydroxymethyl)-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 2-phenylbenzoate?

The canonical SMILES for [(3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-4-(hydroxymethyl)-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate;[(3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-4-(hydroxymethyl)-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 2,2-dimethylpropanoate;[(3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-4-(hydroxymethyl)-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 1H-indazole-7-carboxylate;[(3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-4-(hydroxymethyl)-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 1-methylcyclobutane-1-carboxylate;[(3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-4-(hydroxymethyl)-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 1-methylcyclopropane-1-carboxylate;[(3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-4-(hydroxymethyl)-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 2-phenylbenzoate is CC(C)(C)C(=O)O[C@H]1CN2C(N)=N[C@@H](CO)[C@@H]3N=C(N)N[C@@]32C1(O)O.CC1(C(=O)O[C@H]2CN3C(N)=N[C@@H](CO)[C@@H]4N=C(N)N[C@@]43C2(O)O)CC1.CC1(C(=O)O[C@H]2CN3C(N)=N[C@@H](CO)[C@@H]4N=C(N)N[C@@]43C2(O)O)CCC1.NC1=N[C@H]2[C@H](CO)N=C(N)N3C[C@H](OC(=O)C4(c5ccc(Cl)cc5)CC4)C(O)(O)[C@]23N1.NC1=N[C@H]2[C@H](CO)N=C(N)N3C[C@H](OC(=O)c4cccc5cn[nH]c45)C(O)(O)[C@]23N1.NC1=N[C@H]2[C@H](CO)N=C(N)N3C[C@H](OC(=O)c4ccccc4-c4ccccc4)C(O)(O)[C@]23N1.

What is the InChIKey of [(3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-4-(hydroxymethyl)-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate;[(3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-4-(hydroxymethyl)-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 2,2-dimethylpropanoate;[(3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-4-(hydroxymethyl)-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 1H-indazole-7-carboxylate;[(3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-4-(hydroxymethyl)-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 1-methylcyclobutane-1-carboxylate;[(3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-4-(hydroxymethyl)-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 1-methylcyclopropane-1-carboxylate;[(3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-4-(hydroxymethyl)-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 2-phenylbenzoate?

The InChIKey is JTNHSIHMLCGMKT-SPVULSGCSA-N. The full InChI is InChI=1S/C22H24N6O5.C19H23ClN6O5.C17H20N8O5.C15H24N6O5.C14H22N6O5.C14H24N6O5/c23-19-26-17-15(11-29)25-20(24)28-10-16(22(31,32)21(17,28)27-19)33-18(30)14-9-5-4-8-13(14)12-6-2-1-3-7-12;20-10-3-1-9(2-4-10)17(5-6-17)14(28)31-12-7-26-16(22)23-11(8-27)13-18(26,19(12,29)30)25-15(21)24-13;18-14-22-12-9(6-26)21-15(19)25-5-10(17(28,29)16(12,25)23-14)30-13(27)8-3-1-2-7-4-20-24-11(7)8;1-13(3-2-4-13)10(23)26-8-5-21-12(17)18-7(6-22)9-14(21,15(8,24)25)20-11(16)19-9;1-12(2-3-12)9(22)25-7-4-20-11(16)17-6(5-21)8-13(20,14(7,23)24)19-10(15)18-8;1-12(2,3)9(22)25-7-4-20-11(16)17-6(5-21)8-13(20,14(7,23)24)19-10(15)18-8/h1-9,15-17,29,31-32H,10-11H2,(H2,24,25)(H3,23,26,27);1-4,11-13,27,29-30H,5-8H2,(H2,22,23)(H3,21,24,25);1-4,9-10,12,26,28-29H,5-6H2,(H2,19,21)(H,20,24)(H3,18,22,23);7-9,22,24-25H,2-6H2,1H3,(H2,17,18)(H3,16,19,20);6-8,21,23-24H,2-5H2,1H3,(H2,16,17)(H3,15,18,19);6-8,21,23-24H,4-5H2,1-3H3,(H2,16,17)(H3,15,18,19)/t15-,16-,17-,21-;11-,12-,13-,18-;9-,10-,12-,16-;7-,8-,9-,14-;2*6-,7-,8-,13-/m000000/s1.

What are the key properties of [(3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-4-(hydroxymethyl)-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate;[(3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-4-(hydroxymethyl)-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 2,2-dimethylpropanoate;[(3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-4-(hydroxymethyl)-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 1H-indazole-7-carboxylate;[(3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-4-(hydroxymethyl)-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 1-methylcyclobutane-1-carboxylate;[(3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-4-(hydroxymethyl)-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 1-methylcyclopropane-1-carboxylate;[(3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-4-(hydroxymethyl)-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 2-phenylbenzoate?

[(3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-4-(hydroxymethyl)-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate;[(3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-4-(hydroxymethyl)-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 2,2-dimethylpropanoate;[(3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-4-(hydroxymethyl)-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 1H-indazole-7-carboxylate;[(3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-4-(hydroxymethyl)-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 1-methylcyclobutane-1-carboxylate;[(3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-4-(hydroxymethyl)-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 1-methylcyclopropane-1-carboxylate;[(3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-4-(hydroxymethyl)-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 2-phenylbenzoate has a molecular weight of 2398.90 g/mol, XLogP of -17.01, 19 rotatable bonds, 37 hydrogen bond donors, and 67 hydrogen bond acceptors.

Where does this data come from?

All data for [(3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-4-(hydroxymethyl)-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate;[(3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-4-(hydroxymethyl)-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 2,2-dimethylpropanoate;[(3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-4-(hydroxymethyl)-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 1H-indazole-7-carboxylate;[(3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-4-(hydroxymethyl)-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 1-methylcyclobutane-1-carboxylate;[(3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-4-(hydroxymethyl)-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 1-methylcyclopropane-1-carboxylate;[(3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-4-(hydroxymethyl)-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 2-phenylbenzoate is sourced from PubChem (CID 159019642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).