[(2R,4S,5R)-5-(6-aminopurin-9-yl)-2-ethyl-4-(2-methoxyethoxy)oxolan-3-yl] methyl hydrogen phosphate;1-[(1S,3R,4S)-1-ethyl-7-[hydroxy(methoxy)phosphinothioyl]oxy-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methylpyrimidine-2,4-dione;1-[(1S,3R,4S)-1-ethyl-7-methoxy-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methylpyrimidine-2,4-dione;[(1S,3R,4S)-1-ethyl-3-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dioxabicyclo[2.2.1]heptan-7-yl] methyl hydrogen phosphate;9-[(2R,3S,5R)-4-methoxy-3-(2-methoxyethoxy)-5-(methoxymethyl)oxolan-2-yl]purin-6-amine

C69H103N16O32P3S — CID 160741502

About [(2R,4S,5R)-5-(6-aminopurin-9-yl)-2-ethyl-4-(2-methoxyethoxy)oxolan-3-yl] methyl hydrogen phosphate;1-[(1S,3R,4S)-1-ethyl-7-[hydroxy(methoxy)phosphinothioyl]oxy-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methylpyrimidine-2,4-dione;1-[(1S,3R,4S)-1-ethyl-7-methoxy-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methylpyrimidine-2,4-dione;[(1S,3R,4S)-1-ethyl-3-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dioxabicyclo[2.2.1]heptan-7-yl] methyl hydrogen phosphate;9-[(2R,3S,5R)-4-methoxy-3-(2-methoxyethoxy)-5-(methoxymethyl)oxolan-2-yl]purin-6-amine

[(2R,4S,5R)-5-(6-aminopurin-9-yl)-2-ethyl-4-(2-methoxyethoxy)oxolan-3-yl] methyl hydrogen phosphate;1-[(1S,3R,4S)-1-ethyl-7-[hydroxy(methoxy)phosphinothioyl]oxy-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methylpyrimidine-2,4-dione;1-[(1S,3R,4S)-1-ethyl-7-methoxy-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methylpyrimidine-2,4-dione;[(1S,3R,4S)-1-ethyl-3-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dioxabicyclo[2.2.1]heptan-7-yl] methyl hydrogen phosphate;9-[(2R,3S,5R)-4-methoxy-3-(2-methoxyethoxy)-5-(methoxymethyl)oxolan-2-yl]purin-6-amine (PubChem CID 160741502) has the molecular formula C69H103N16O32P3S and a molecular weight of 1793.65 g/mol. Its IUPAC name is [(2R,4S,5R)-5-(6-aminopurin-9-yl)-2-ethyl-4-(2-methoxyethoxy)oxolan-3-yl] methyl hydrogen phosphate;1-[(1S,3R,4S)-1-ethyl-7-[hydroxy(methoxy)phosphinothioyl]oxy-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methylpyrimidine-2,4-dione;1-[(1S,3R,4S)-1-ethyl-7-methoxy-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methylpyrimidine-2,4-dione;[(1S,3R,4S)-1-ethyl-3-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dioxabicyclo[2.2.1]heptan-7-yl] methyl hydrogen phosphate;9-[(2R,3S,5R)-4-methoxy-3-(2-methoxyethoxy)-5-(methoxymethyl)oxolan-2-yl]purin-6-amine.

Molecular Properties

• Compound Name: [(2R,4S,5R)-5-(6-aminopurin-9-yl)-2-ethyl-4-(2-methoxyethoxy)oxolan-3-yl] methyl hydrogen phosphate;1-[(1S,3R,4S)-1-ethyl-7-[hydroxy(methoxy)phosphinothioyl]oxy-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methylpyrimidine-2,4-dione;1-[(1S,3R,4S)-1-ethyl-7-methoxy-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methylpyrimidine-2,4-dione;[(1S,3R,4S)-1-ethyl-3-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dioxabicyclo[2.2.1]heptan-7-yl] methyl hydrogen phosphate;9-[(2R,3S,5R)-4-methoxy-3-(2-methoxyethoxy)-5-(methoxymethyl)oxolan-2-yl]purin-6-amine
• PubChem CID: 160741502
• Molecular Formula: C69H103N16O32P3S
• Molecular Weight: 1793.65 g/mol
• Exact Mass: 1792.59
• IUPAC Name: [(2R,4S,5R)-5-(6-aminopurin-9-yl)-2-ethyl-4-(2-methoxyethoxy)oxolan-3-yl] methyl hydrogen phosphate;1-[(1S,3R,4S)-1-ethyl-7-[hydroxy(methoxy)phosphinothioyl]oxy-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methylpyrimidine-2,4-dione;1-[(1S,3R,4S)-1-ethyl-7-methoxy-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methylpyrimidine-2,4-dione;[(1S,3R,4S)-1-ethyl-3-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dioxabicyclo[2.2.1]heptan-7-yl] methyl hydrogen phosphate;9-[(2R,3S,5R)-4-methoxy-3-(2-methoxyethoxy)-5-(methoxymethyl)oxolan-2-yl]purin-6-amine
• SMILES: CC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@@H](OCCOC)C1OP(=O)(O)OC.CC[C@]12CO[C@@H](C1OC)[C@H](n1cc(C)c(=O)[nH]c1=O)O2.CC[C@]12CO[C@@H](C1OP(=O)(O)OC)[C@H](n1cc(C)c(=O)[nH]c1=O)O2.CC[C@]12CO[C@@H](C1OP(O)(=S)OC)[C@H](n1cc(C)c(=O)[nH]c1=O)O2.COCCO[C@H]1C(OC)[C@@H](COC)O[C@H]1n1cnc2c(N)ncnc21
• InChI: InChI=1S/C15H24N5O7P.C15H23N5O5.C13H19N2O8P.C13H19N2O7PS.C13H18N2O5/c1-4-9-11(27-28(21,22)24-3)12(25-6-5-23-2)15(26-9)20-8-19-10-13(16)17-7-18-14(10)20;1-21-4-5-24-12-11(23-3)9(6-22-2)25-15(12)20-8-19-10-13(16)17-7-18-14(10)20;1-4-13-6-21-8(9(13)23-24(18,19)20-3)11(22-13)15-5-7(2)10(16)14-12(15)17;1-4-13-6-20-8(9(13)22-23(18,24)19-3)11(21-13)15-5-7(2)10(16)14-12(15)17;1-4-13-6-19-8(9(13)18-3)11(20-13)15-5-7(2)10(16)14-12(15)17/h7-9,11-12,15H,4-6H2,1-3H3,(H,21,22)(H2,16,17,18);7-9,11-12,15H,4-6H2,1-3H3,(H2,16,17,18);5,8-9,11H,4,6H2,1-3H3,(H,18,19)(H,14,16,17);5,8-9,11H,4,6H2,1-3H3,(H,18,24)(H,14,16,17);5,8-9,11H,4,6H2,1-3H3,(H,14,16,17)/t2*9-,11?,12+,15-;8-,9?,11+,13-;8-,9?,11+,13-,23?;8-,9?,11+,13-/m11000/s1
• InChIKey: RVQNCVBHZAAJBR-COGGXJDNSA-N
• XLogP: 1.04
• TPSA: 592.48 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 43
• Rotatable Bonds: 30
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1793.65
LogP ≤ 5	1.04
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2R,4S,5R)-5-(6-aminopurin-9-yl)-2-ethyl-4-(2-methoxyethoxy)oxolan-3-yl] methyl hydrogen phosphate;1-[(1S,3R,4S)-1-ethyl-7-[hydroxy(methoxy)phosphinothioyl]oxy-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methylpyrimidine-2,4-dione;1-[(1S,3R,4S)-1-ethyl-7-methoxy-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methylpyrimidine-2,4-dione;[(1S,3R,4S)-1-ethyl-3-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dioxabicyclo[2.2.1]heptan-7-yl] methyl hydrogen phosphate;9-[(2R,3S,5R)-4-methoxy-3-(2-methoxyethoxy)-5-(methoxymethyl)oxolan-2-yl]purin-6-amine?

The IUPAC name of [(2R,4S,5R)-5-(6-aminopurin-9-yl)-2-ethyl-4-(2-methoxyethoxy)oxolan-3-yl] methyl hydrogen phosphate;1-[(1S,3R,4S)-1-ethyl-7-[hydroxy(methoxy)phosphinothioyl]oxy-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methylpyrimidine-2,4-dione;1-[(1S,3R,4S)-1-ethyl-7-methoxy-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methylpyrimidine-2,4-dione;[(1S,3R,4S)-1-ethyl-3-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dioxabicyclo[2.2.1]heptan-7-yl] methyl hydrogen phosphate;9-[(2R,3S,5R)-4-methoxy-3-(2-methoxyethoxy)-5-(methoxymethyl)oxolan-2-yl]purin-6-amine (CID 160741502) is [(2R,4S,5R)-5-(6-aminopurin-9-yl)-2-ethyl-4-(2-methoxyethoxy)oxolan-3-yl] methyl hydrogen phosphate;1-[(1S,3R,4S)-1-ethyl-7-[hydroxy(methoxy)phosphinothioyl]oxy-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methylpyrimidine-2,4-dione;1-[(1S,3R,4S)-1-ethyl-7-methoxy-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methylpyrimidine-2,4-dione;[(1S,3R,4S)-1-ethyl-3-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dioxabicyclo[2.2.1]heptan-7-yl] methyl hydrogen phosphate;9-[(2R,3S,5R)-4-methoxy-3-(2-methoxyethoxy)-5-(methoxymethyl)oxolan-2-yl]purin-6-amine.

What is the SMILES notation for [(2R,4S,5R)-5-(6-aminopurin-9-yl)-2-ethyl-4-(2-methoxyethoxy)oxolan-3-yl] methyl hydrogen phosphate;1-[(1S,3R,4S)-1-ethyl-7-[hydroxy(methoxy)phosphinothioyl]oxy-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methylpyrimidine-2,4-dione;1-[(1S,3R,4S)-1-ethyl-7-methoxy-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methylpyrimidine-2,4-dione;[(1S,3R,4S)-1-ethyl-3-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dioxabicyclo[2.2.1]heptan-7-yl] methyl hydrogen phosphate;9-[(2R,3S,5R)-4-methoxy-3-(2-methoxyethoxy)-5-(methoxymethyl)oxolan-2-yl]purin-6-amine?

The canonical SMILES for [(2R,4S,5R)-5-(6-aminopurin-9-yl)-2-ethyl-4-(2-methoxyethoxy)oxolan-3-yl] methyl hydrogen phosphate;1-[(1S,3R,4S)-1-ethyl-7-[hydroxy(methoxy)phosphinothioyl]oxy-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methylpyrimidine-2,4-dione;1-[(1S,3R,4S)-1-ethyl-7-methoxy-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methylpyrimidine-2,4-dione;[(1S,3R,4S)-1-ethyl-3-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dioxabicyclo[2.2.1]heptan-7-yl] methyl hydrogen phosphate;9-[(2R,3S,5R)-4-methoxy-3-(2-methoxyethoxy)-5-(methoxymethyl)oxolan-2-yl]purin-6-amine is CC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@@H](OCCOC)C1OP(=O)(O)OC.CC[C@]12CO[C@@H](C1OC)[C@H](n1cc(C)c(=O)[nH]c1=O)O2.CC[C@]12CO[C@@H](C1OP(=O)(O)OC)[C@H](n1cc(C)c(=O)[nH]c1=O)O2.CC[C@]12CO[C@@H](C1OP(O)(=S)OC)[C@H](n1cc(C)c(=O)[nH]c1=O)O2.COCCO[C@H]1C(OC)[C@@H](COC)O[C@H]1n1cnc2c(N)ncnc21.

What is the InChIKey of [(2R,4S,5R)-5-(6-aminopurin-9-yl)-2-ethyl-4-(2-methoxyethoxy)oxolan-3-yl] methyl hydrogen phosphate;1-[(1S,3R,4S)-1-ethyl-7-[hydroxy(methoxy)phosphinothioyl]oxy-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methylpyrimidine-2,4-dione;1-[(1S,3R,4S)-1-ethyl-7-methoxy-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methylpyrimidine-2,4-dione;[(1S,3R,4S)-1-ethyl-3-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dioxabicyclo[2.2.1]heptan-7-yl] methyl hydrogen phosphate;9-[(2R,3S,5R)-4-methoxy-3-(2-methoxyethoxy)-5-(methoxymethyl)oxolan-2-yl]purin-6-amine?

The InChIKey is RVQNCVBHZAAJBR-COGGXJDNSA-N. The full InChI is InChI=1S/C15H24N5O7P.C15H23N5O5.C13H19N2O8P.C13H19N2O7PS.C13H18N2O5/c1-4-9-11(27-28(21,22)24-3)12(25-6-5-23-2)15(26-9)20-8-19-10-13(16)17-7-18-14(10)20;1-21-4-5-24-12-11(23-3)9(6-22-2)25-15(12)20-8-19-10-13(16)17-7-18-14(10)20;1-4-13-6-21-8(9(13)23-24(18,19)20-3)11(22-13)15-5-7(2)10(16)14-12(15)17;1-4-13-6-20-8(9(13)22-23(18,24)19-3)11(21-13)15-5-7(2)10(16)14-12(15)17;1-4-13-6-19-8(9(13)18-3)11(20-13)15-5-7(2)10(16)14-12(15)17/h7-9,11-12,15H,4-6H2,1-3H3,(H,21,22)(H2,16,17,18);7-9,11-12,15H,4-6H2,1-3H3,(H2,16,17,18);5,8-9,11H,4,6H2,1-3H3,(H,18,19)(H,14,16,17);5,8-9,11H,4,6H2,1-3H3,(H,18,24)(H,14,16,17);5,8-9,11H,4,6H2,1-3H3,(H,14,16,17)/t2*9-,11?,12+,15-;8-,9?,11+,13-;8-,9?,11+,13-,23?;8-,9?,11+,13-/m11000/s1.

What are the key properties of [(2R,4S,5R)-5-(6-aminopurin-9-yl)-2-ethyl-4-(2-methoxyethoxy)oxolan-3-yl] methyl hydrogen phosphate;1-[(1S,3R,4S)-1-ethyl-7-[hydroxy(methoxy)phosphinothioyl]oxy-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methylpyrimidine-2,4-dione;1-[(1S,3R,4S)-1-ethyl-7-methoxy-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methylpyrimidine-2,4-dione;[(1S,3R,4S)-1-ethyl-3-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dioxabicyclo[2.2.1]heptan-7-yl] methyl hydrogen phosphate;9-[(2R,3S,5R)-4-methoxy-3-(2-methoxyethoxy)-5-(methoxymethyl)oxolan-2-yl]purin-6-amine?

[(2R,4S,5R)-5-(6-aminopurin-9-yl)-2-ethyl-4-(2-methoxyethoxy)oxolan-3-yl] methyl hydrogen phosphate;1-[(1S,3R,4S)-1-ethyl-7-[hydroxy(methoxy)phosphinothioyl]oxy-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methylpyrimidine-2,4-dione;1-[(1S,3R,4S)-1-ethyl-7-methoxy-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methylpyrimidine-2,4-dione;[(1S,3R,4S)-1-ethyl-3-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dioxabicyclo[2.2.1]heptan-7-yl] methyl hydrogen phosphate;9-[(2R,3S,5R)-4-methoxy-3-(2-methoxyethoxy)-5-(methoxymethyl)oxolan-2-yl]purin-6-amine has a molecular weight of 1793.65 g/mol, XLogP of 1.04, 30 rotatable bonds, 8 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,4S,5R)-5-(6-aminopurin-9-yl)-2-ethyl-4-(2-methoxyethoxy)oxolan-3-yl] methyl hydrogen phosphate;1-[(1S,3R,4S)-1-ethyl-7-[hydroxy(methoxy)phosphinothioyl]oxy-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methylpyrimidine-2,4-dione;1-[(1S,3R,4S)-1-ethyl-7-methoxy-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methylpyrimidine-2,4-dione;[(1S,3R,4S)-1-ethyl-3-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dioxabicyclo[2.2.1]heptan-7-yl] methyl hydrogen phosphate;9-[(2R,3S,5R)-4-methoxy-3-(2-methoxyethoxy)-5-(methoxymethyl)oxolan-2-yl]purin-6-amine is sourced from PubChem (CID 160741502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).