[4-(2-amino-6-chloropurin-9-yl)-1,3-dioxolan-2-yl]methanol;[4-(2-amino-6-chloropurin-9-yl)-1,3-dioxolan-2-yl]methyl benzoate;2-amino-9-[2-(hydroxymethyl)-1,3-dioxolan-4-yl]-1H-purin-6-one;[4-(2-aminopurin-9-yl)-1,3-dioxolan-2-yl]methanol;[4-(6-aminopurin-9-yl)-1,3-dioxolan-2-yl]methanol;[4-(6-aminopurin-9-yl)-1,3-dioxolan-2-yl]methyl benzoate;[2-(benzoyloxymethyl)-1,3-dioxolan-4-yl] 3-chlorobenzoate;[4-(2,6-diaminopurin-9-yl)-1,3-dioxolan-2-yl]methanol

C95H99Cl3N36O30 — CID 158422573

About [4-(2-amino-6-chloropurin-9-yl)-1,3-dioxolan-2-yl]methanol;[4-(2-amino-6-chloropurin-9-yl)-1,3-dioxolan-2-yl]methyl benzoate;2-amino-9-[2-(hydroxymethyl)-1,3-dioxolan-4-yl]-1H-purin-6-one;[4-(2-aminopurin-9-yl)-1,3-dioxolan-2-yl]methanol;[4-(6-aminopurin-9-yl)-1,3-dioxolan-2-yl]methanol;[4-(6-aminopurin-9-yl)-1,3-dioxolan-2-yl]methyl benzoate;[2-(benzoyloxymethyl)-1,3-dioxolan-4-yl] 3-chlorobenzoate;[4-(2,6-diaminopurin-9-yl)-1,3-dioxolan-2-yl]methanol

[4-(2-amino-6-chloropurin-9-yl)-1,3-dioxolan-2-yl]methanol;[4-(2-amino-6-chloropurin-9-yl)-1,3-dioxolan-2-yl]methyl benzoate;2-amino-9-[2-(hydroxymethyl)-1,3-dioxolan-4-yl]-1H-purin-6-one;[4-(2-aminopurin-9-yl)-1,3-dioxolan-2-yl]methanol;[4-(6-aminopurin-9-yl)-1,3-dioxolan-2-yl]methanol;[4-(6-aminopurin-9-yl)-1,3-dioxolan-2-yl]methyl benzoate;[2-(benzoyloxymethyl)-1,3-dioxolan-4-yl] 3-chlorobenzoate;[4-(2,6-diaminopurin-9-yl)-1,3-dioxolan-2-yl]methanol (PubChem CID 158422573) has the molecular formula C95H99Cl3N36O30 and a molecular weight of 2331.42 g/mol. Its IUPAC name is [4-(2-amino-6-chloropurin-9-yl)-1,3-dioxolan-2-yl]methanol;[4-(2-amino-6-chloropurin-9-yl)-1,3-dioxolan-2-yl]methyl benzoate;2-amino-9-[2-(hydroxymethyl)-1,3-dioxolan-4-yl]-1H-purin-6-one;[4-(2-aminopurin-9-yl)-1,3-dioxolan-2-yl]methanol;[4-(6-aminopurin-9-yl)-1,3-dioxolan-2-yl]methanol;[4-(6-aminopurin-9-yl)-1,3-dioxolan-2-yl]methyl benzoate;[2-(benzoyloxymethyl)-1,3-dioxolan-4-yl] 3-chlorobenzoate;[4-(2,6-diaminopurin-9-yl)-1,3-dioxolan-2-yl]methanol.

Molecular Properties

• Compound Name: [4-(2-amino-6-chloropurin-9-yl)-1,3-dioxolan-2-yl]methanol;[4-(2-amino-6-chloropurin-9-yl)-1,3-dioxolan-2-yl]methyl benzoate;2-amino-9-[2-(hydroxymethyl)-1,3-dioxolan-4-yl]-1H-purin-6-one;[4-(2-aminopurin-9-yl)-1,3-dioxolan-2-yl]methanol;[4-(6-aminopurin-9-yl)-1,3-dioxolan-2-yl]methanol;[4-(6-aminopurin-9-yl)-1,3-dioxolan-2-yl]methyl benzoate;[2-(benzoyloxymethyl)-1,3-dioxolan-4-yl] 3-chlorobenzoate;[4-(2,6-diaminopurin-9-yl)-1,3-dioxolan-2-yl]methanol
• PubChem CID: 158422573
• Molecular Formula: C95H99Cl3N36O30
• Molecular Weight: 2331.42 g/mol
• Exact Mass: 2328.64
• IUPAC Name: [4-(2-amino-6-chloropurin-9-yl)-1,3-dioxolan-2-yl]methanol;[4-(2-amino-6-chloropurin-9-yl)-1,3-dioxolan-2-yl]methyl benzoate;2-amino-9-[2-(hydroxymethyl)-1,3-dioxolan-4-yl]-1H-purin-6-one;[4-(2-aminopurin-9-yl)-1,3-dioxolan-2-yl]methanol;[4-(6-aminopurin-9-yl)-1,3-dioxolan-2-yl]methanol;[4-(6-aminopurin-9-yl)-1,3-dioxolan-2-yl]methyl benzoate;[2-(benzoyloxymethyl)-1,3-dioxolan-4-yl] 3-chlorobenzoate;[4-(2,6-diaminopurin-9-yl)-1,3-dioxolan-2-yl]methanol
• SMILES: Nc1nc(Cl)c2ncn(C3COC(CO)O3)c2n1.Nc1nc(Cl)c2ncn(C3COC(COC(=O)c4ccccc4)O3)c2n1.Nc1nc(N)c2ncn(C3COC(CO)O3)c2n1.Nc1nc2c(ncn2C2COC(CO)O2)c(=O)[nH]1.Nc1ncc2ncn(C3COC(CO)O3)c2n1.Nc1ncnc2c1ncn2C1COC(CO)O1.Nc1ncnc2c1ncn2C1COC(COC(=O)c2ccccc2)O1.O=C(OCC1OCC(OC(=O)c2cccc(Cl)c2)O1)c1ccccc1
• InChI: InChI=1S/C18H15ClO6.C16H14ClN5O4.C16H15N5O4.C9H10ClN5O3.C9H12N6O3.C9H11N5O4.2C9H11N5O3/c19-14-8-4-7-13(9-14)18(21)25-16-11-22-15(24-16)10-23-17(20)12-5-2-1-3-6-12;17-13-12-14(21-16(18)20-13)22(8-19-12)10-6-24-11(26-10)7-25-15(23)9-4-2-1-3-5-9;17-14-13-15(19-8-18-14)21(9-20-13)11-6-23-12(25-11)7-24-16(22)10-4-2-1-3-5-10;2*10-7-6-8(14-9(11)13-7)15(3-12-6)4-2-17-5(1-16)18-4;10-9-12-7-6(8(16)13-9)11-3-14(7)4-2-17-5(1-15)18-4;10-8-7-9(12-3-11-8)14(4-13-7)5-2-16-6(1-15)17-5;10-9-11-1-5-8(13-9)14(4-12-5)6-3-16-7(2-15)17-6/h1-9,15-16H,10-11H2;1-5,8,10-11H,6-7H2,(H2,18,20,21);1-5,8-9,11-12H,6-7H2,(H2,17,18,19);3-5,16H,1-2H2,(H2,11,13,14);3-5,16H,1-2H2,(H4,10,11,13,14);3-5,15H,1-2H2,(H3,10,12,13,16);3-6,15H,1-2H2,(H2,10,11,12);1,4,6-7,15H,2-3H2,(H2,10,11,13)
• InChIKey: HAQWRRQUKKBRLR-UHFFFAOYSA-N
• XLogP: 1.87
• TPSA: 887.36 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 65
• Rotatable Bonds: 23
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2331.42
LogP ≤ 5	1.87
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	65

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4-(2-amino-6-chloropurin-9-yl)-1,3-dioxolan-2-yl]methanol;[4-(2-amino-6-chloropurin-9-yl)-1,3-dioxolan-2-yl]methyl benzoate;2-amino-9-[2-(hydroxymethyl)-1,3-dioxolan-4-yl]-1H-purin-6-one;[4-(2-aminopurin-9-yl)-1,3-dioxolan-2-yl]methanol;[4-(6-aminopurin-9-yl)-1,3-dioxolan-2-yl]methanol;[4-(6-aminopurin-9-yl)-1,3-dioxolan-2-yl]methyl benzoate;[2-(benzoyloxymethyl)-1,3-dioxolan-4-yl] 3-chlorobenzoate;[4-(2,6-diaminopurin-9-yl)-1,3-dioxolan-2-yl]methanol?

The IUPAC name of [4-(2-amino-6-chloropurin-9-yl)-1,3-dioxolan-2-yl]methanol;[4-(2-amino-6-chloropurin-9-yl)-1,3-dioxolan-2-yl]methyl benzoate;2-amino-9-[2-(hydroxymethyl)-1,3-dioxolan-4-yl]-1H-purin-6-one;[4-(2-aminopurin-9-yl)-1,3-dioxolan-2-yl]methanol;[4-(6-aminopurin-9-yl)-1,3-dioxolan-2-yl]methanol;[4-(6-aminopurin-9-yl)-1,3-dioxolan-2-yl]methyl benzoate;[2-(benzoyloxymethyl)-1,3-dioxolan-4-yl] 3-chlorobenzoate;[4-(2,6-diaminopurin-9-yl)-1,3-dioxolan-2-yl]methanol (CID 158422573) is [4-(2-amino-6-chloropurin-9-yl)-1,3-dioxolan-2-yl]methanol;[4-(2-amino-6-chloropurin-9-yl)-1,3-dioxolan-2-yl]methyl benzoate;2-amino-9-[2-(hydroxymethyl)-1,3-dioxolan-4-yl]-1H-purin-6-one;[4-(2-aminopurin-9-yl)-1,3-dioxolan-2-yl]methanol;[4-(6-aminopurin-9-yl)-1,3-dioxolan-2-yl]methanol;[4-(6-aminopurin-9-yl)-1,3-dioxolan-2-yl]methyl benzoate;[2-(benzoyloxymethyl)-1,3-dioxolan-4-yl] 3-chlorobenzoate;[4-(2,6-diaminopurin-9-yl)-1,3-dioxolan-2-yl]methanol.

What is the SMILES notation for [4-(2-amino-6-chloropurin-9-yl)-1,3-dioxolan-2-yl]methanol;[4-(2-amino-6-chloropurin-9-yl)-1,3-dioxolan-2-yl]methyl benzoate;2-amino-9-[2-(hydroxymethyl)-1,3-dioxolan-4-yl]-1H-purin-6-one;[4-(2-aminopurin-9-yl)-1,3-dioxolan-2-yl]methanol;[4-(6-aminopurin-9-yl)-1,3-dioxolan-2-yl]methanol;[4-(6-aminopurin-9-yl)-1,3-dioxolan-2-yl]methyl benzoate;[2-(benzoyloxymethyl)-1,3-dioxolan-4-yl] 3-chlorobenzoate;[4-(2,6-diaminopurin-9-yl)-1,3-dioxolan-2-yl]methanol?

The canonical SMILES for [4-(2-amino-6-chloropurin-9-yl)-1,3-dioxolan-2-yl]methanol;[4-(2-amino-6-chloropurin-9-yl)-1,3-dioxolan-2-yl]methyl benzoate;2-amino-9-[2-(hydroxymethyl)-1,3-dioxolan-4-yl]-1H-purin-6-one;[4-(2-aminopurin-9-yl)-1,3-dioxolan-2-yl]methanol;[4-(6-aminopurin-9-yl)-1,3-dioxolan-2-yl]methanol;[4-(6-aminopurin-9-yl)-1,3-dioxolan-2-yl]methyl benzoate;[2-(benzoyloxymethyl)-1,3-dioxolan-4-yl] 3-chlorobenzoate;[4-(2,6-diaminopurin-9-yl)-1,3-dioxolan-2-yl]methanol is Nc1nc(Cl)c2ncn(C3COC(CO)O3)c2n1.Nc1nc(Cl)c2ncn(C3COC(COC(=O)c4ccccc4)O3)c2n1.Nc1nc(N)c2ncn(C3COC(CO)O3)c2n1.Nc1nc2c(ncn2C2COC(CO)O2)c(=O)[nH]1.Nc1ncc2ncn(C3COC(CO)O3)c2n1.Nc1ncnc2c1ncn2C1COC(CO)O1.Nc1ncnc2c1ncn2C1COC(COC(=O)c2ccccc2)O1.O=C(OCC1OCC(OC(=O)c2cccc(Cl)c2)O1)c1ccccc1.

What is the InChIKey of [4-(2-amino-6-chloropurin-9-yl)-1,3-dioxolan-2-yl]methanol;[4-(2-amino-6-chloropurin-9-yl)-1,3-dioxolan-2-yl]methyl benzoate;2-amino-9-[2-(hydroxymethyl)-1,3-dioxolan-4-yl]-1H-purin-6-one;[4-(2-aminopurin-9-yl)-1,3-dioxolan-2-yl]methanol;[4-(6-aminopurin-9-yl)-1,3-dioxolan-2-yl]methanol;[4-(6-aminopurin-9-yl)-1,3-dioxolan-2-yl]methyl benzoate;[2-(benzoyloxymethyl)-1,3-dioxolan-4-yl] 3-chlorobenzoate;[4-(2,6-diaminopurin-9-yl)-1,3-dioxolan-2-yl]methanol?

The InChIKey is HAQWRRQUKKBRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClO6.C16H14ClN5O4.C16H15N5O4.C9H10ClN5O3.C9H12N6O3.C9H11N5O4.2C9H11N5O3/c19-14-8-4-7-13(9-14)18(21)25-16-11-22-15(24-16)10-23-17(20)12-5-2-1-3-6-12;17-13-12-14(21-16(18)20-13)22(8-19-12)10-6-24-11(26-10)7-25-15(23)9-4-2-1-3-5-9;17-14-13-15(19-8-18-14)21(9-20-13)11-6-23-12(25-11)7-24-16(22)10-4-2-1-3-5-10;2*10-7-6-8(14-9(11)13-7)15(3-12-6)4-2-17-5(1-16)18-4;10-9-12-7-6(8(16)13-9)11-3-14(7)4-2-17-5(1-15)18-4;10-8-7-9(12-3-11-8)14(4-13-7)5-2-16-6(1-15)17-5;10-9-11-1-5-8(13-9)14(4-12-5)6-3-16-7(2-15)17-6/h1-9,15-16H,10-11H2;1-5,8,10-11H,6-7H2,(H2,18,20,21);1-5,8-9,11-12H,6-7H2,(H2,17,18,19);3-5,16H,1-2H2,(H2,11,13,14);3-5,16H,1-2H2,(H4,10,11,13,14);3-5,15H,1-2H2,(H3,10,12,13,16);3-6,15H,1-2H2,(H2,10,11,12);1,4,6-7,15H,2-3H2,(H2,10,11,13).

What are the key properties of [4-(2-amino-6-chloropurin-9-yl)-1,3-dioxolan-2-yl]methanol;[4-(2-amino-6-chloropurin-9-yl)-1,3-dioxolan-2-yl]methyl benzoate;2-amino-9-[2-(hydroxymethyl)-1,3-dioxolan-4-yl]-1H-purin-6-one;[4-(2-aminopurin-9-yl)-1,3-dioxolan-2-yl]methanol;[4-(6-aminopurin-9-yl)-1,3-dioxolan-2-yl]methanol;[4-(6-aminopurin-9-yl)-1,3-dioxolan-2-yl]methyl benzoate;[2-(benzoyloxymethyl)-1,3-dioxolan-4-yl] 3-chlorobenzoate;[4-(2,6-diaminopurin-9-yl)-1,3-dioxolan-2-yl]methanol?

[4-(2-amino-6-chloropurin-9-yl)-1,3-dioxolan-2-yl]methanol;[4-(2-amino-6-chloropurin-9-yl)-1,3-dioxolan-2-yl]methyl benzoate;2-amino-9-[2-(hydroxymethyl)-1,3-dioxolan-4-yl]-1H-purin-6-one;[4-(2-aminopurin-9-yl)-1,3-dioxolan-2-yl]methanol;[4-(6-aminopurin-9-yl)-1,3-dioxolan-2-yl]methanol;[4-(6-aminopurin-9-yl)-1,3-dioxolan-2-yl]methyl benzoate;[2-(benzoyloxymethyl)-1,3-dioxolan-4-yl] 3-chlorobenzoate;[4-(2,6-diaminopurin-9-yl)-1,3-dioxolan-2-yl]methanol has a molecular weight of 2331.42 g/mol, XLogP of 1.87, 23 rotatable bonds, 14 hydrogen bond donors, and 65 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(2-amino-6-chloropurin-9-yl)-1,3-dioxolan-2-yl]methanol;[4-(2-amino-6-chloropurin-9-yl)-1,3-dioxolan-2-yl]methyl benzoate;2-amino-9-[2-(hydroxymethyl)-1,3-dioxolan-4-yl]-1H-purin-6-one;[4-(2-aminopurin-9-yl)-1,3-dioxolan-2-yl]methanol;[4-(6-aminopurin-9-yl)-1,3-dioxolan-2-yl]methanol;[4-(6-aminopurin-9-yl)-1,3-dioxolan-2-yl]methyl benzoate;[2-(benzoyloxymethyl)-1,3-dioxolan-4-yl] 3-chlorobenzoate;[4-(2,6-diaminopurin-9-yl)-1,3-dioxolan-2-yl]methanol is sourced from PubChem (CID 158422573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).