2-amino-9-[(2R,4S,5R)-5-ethyl-3,4-dimethoxyoxolan-2-yl]-1H-purin-6-one;2-amino-9-[(2R,4S,5R)-5-ethyl-4-[hydroxy(methoxy)phosphinothioyl]oxy-3-methoxyoxolan-2-yl]-1H-purin-6-one;[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-ethyl-4-methoxyoxolan-3-yl] methyl hydrogen phosphate;9-[(2R,4S,5R)-5-ethyl-4-[hydroxy(methoxy)phosphinothioyl]oxy-3-methoxyoxolan-2-yl]purin-6-amine

C52H79N20O22P3S2 — CID 159015180

About 2-amino-9-[(2R,4S,5R)-5-ethyl-3,4-dimethoxyoxolan-2-yl]-1H-purin-6-one;2-amino-9-[(2R,4S,5R)-5-ethyl-4-[hydroxy(methoxy)phosphinothioyl]oxy-3-methoxyoxolan-2-yl]-1H-purin-6-one;[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-ethyl-4-methoxyoxolan-3-yl] methyl hydrogen phosphate;9-[(2R,4S,5R)-5-ethyl-4-[hydroxy(methoxy)phosphinothioyl]oxy-3-methoxyoxolan-2-yl]purin-6-amine

2-amino-9-[(2R,4S,5R)-5-ethyl-3,4-dimethoxyoxolan-2-yl]-1H-purin-6-one;2-amino-9-[(2R,4S,5R)-5-ethyl-4-[hydroxy(methoxy)phosphinothioyl]oxy-3-methoxyoxolan-2-yl]-1H-purin-6-one;[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-ethyl-4-methoxyoxolan-3-yl] methyl hydrogen phosphate;9-[(2R,4S,5R)-5-ethyl-4-[hydroxy(methoxy)phosphinothioyl]oxy-3-methoxyoxolan-2-yl]purin-6-amine (PubChem CID 159015180) has the molecular formula C52H79N20O22P3S2 and a molecular weight of 1493.38 g/mol. Its IUPAC name is 2-amino-9-[(2R,4S,5R)-5-ethyl-3,4-dimethoxyoxolan-2-yl]-1H-purin-6-one;2-amino-9-[(2R,4S,5R)-5-ethyl-4-[hydroxy(methoxy)phosphinothioyl]oxy-3-methoxyoxolan-2-yl]-1H-purin-6-one;[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-ethyl-4-methoxyoxolan-3-yl] methyl hydrogen phosphate;9-[(2R,4S,5R)-5-ethyl-4-[hydroxy(methoxy)phosphinothioyl]oxy-3-methoxyoxolan-2-yl]purin-6-amine.

Molecular Properties

• Compound Name: 2-amino-9-[(2R,4S,5R)-5-ethyl-3,4-dimethoxyoxolan-2-yl]-1H-purin-6-one;2-amino-9-[(2R,4S,5R)-5-ethyl-4-[hydroxy(methoxy)phosphinothioyl]oxy-3-methoxyoxolan-2-yl]-1H-purin-6-one;[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-ethyl-4-methoxyoxolan-3-yl] methyl hydrogen phosphate;9-[(2R,4S,5R)-5-ethyl-4-[hydroxy(methoxy)phosphinothioyl]oxy-3-methoxyoxolan-2-yl]purin-6-amine
• PubChem CID: 159015180
• Molecular Formula: C52H79N20O22P3S2
• Molecular Weight: 1493.38 g/mol
• Exact Mass: 1492.43
• IUPAC Name: 2-amino-9-[(2R,4S,5R)-5-ethyl-3,4-dimethoxyoxolan-2-yl]-1H-purin-6-one;2-amino-9-[(2R,4S,5R)-5-ethyl-4-[hydroxy(methoxy)phosphinothioyl]oxy-3-methoxyoxolan-2-yl]-1H-purin-6-one;[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-ethyl-4-methoxyoxolan-3-yl] methyl hydrogen phosphate;9-[(2R,4S,5R)-5-ethyl-4-[hydroxy(methoxy)phosphinothioyl]oxy-3-methoxyoxolan-2-yl]purin-6-amine
• SMILES: CC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)C(OC)[C@H]1OC.CC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)C(OC)[C@H]1OP(=O)(O)OC.CC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)C(OC)[C@H]1OP(O)(=S)OC.CC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)C(OC)[C@H]1OP(O)(=S)OC
• InChI: InChI=1S/C13H20N5O7P.C13H20N5O6PS.C13H20N5O5PS.C13H19N5O4/c1-4-6-8(25-26(20,21)23-3)9(22-2)12(24-6)18-5-15-7-10(18)16-13(14)17-11(7)19;1-4-6-8(24-25(20,26)22-3)9(21-2)12(23-6)18-5-15-7-10(18)16-13(14)17-11(7)19;1-4-7-9(23-24(19,25)21-3)10(20-2)13(22-7)18-6-17-8-11(14)15-5-16-12(8)18;1-4-6-8(20-2)9(21-3)12(22-6)18-5-15-7-10(18)16-13(14)17-11(7)19/h5-6,8-9,12H,4H2,1-3H3,(H,20,21)(H3,14,16,17,19);5-6,8-9,12H,4H2,1-3H3,(H,20,26)(H3,14,16,17,19);5-7,9-10,13H,4H2,1-3H3,(H,19,25)(H2,14,15,16);5-6,8-9,12H,4H2,1-3H3,(H3,14,16,17,19)/t6-,8+,9?,12-;6-,8+,9?,12-,25?;7-,9+,10?,13-,24?;6-,8+,9?,12-/m1111/s1
• InChIKey: JSZNIHGJDXUBAF-UAFPIDFUSA-N
• XLogP: 1.45
• TPSA: 554.60 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 38
• Rotatable Bonds: 22
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1493.38
LogP ≤ 5	1.45
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-amino-9-[(2R,4S,5R)-5-ethyl-3,4-dimethoxyoxolan-2-yl]-1H-purin-6-one;2-amino-9-[(2R,4S,5R)-5-ethyl-4-[hydroxy(methoxy)phosphinothioyl]oxy-3-methoxyoxolan-2-yl]-1H-purin-6-one;[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-ethyl-4-methoxyoxolan-3-yl] methyl hydrogen phosphate;9-[(2R,4S,5R)-5-ethyl-4-[hydroxy(methoxy)phosphinothioyl]oxy-3-methoxyoxolan-2-yl]purin-6-amine?

The IUPAC name of 2-amino-9-[(2R,4S,5R)-5-ethyl-3,4-dimethoxyoxolan-2-yl]-1H-purin-6-one;2-amino-9-[(2R,4S,5R)-5-ethyl-4-[hydroxy(methoxy)phosphinothioyl]oxy-3-methoxyoxolan-2-yl]-1H-purin-6-one;[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-ethyl-4-methoxyoxolan-3-yl] methyl hydrogen phosphate;9-[(2R,4S,5R)-5-ethyl-4-[hydroxy(methoxy)phosphinothioyl]oxy-3-methoxyoxolan-2-yl]purin-6-amine (CID 159015180) is 2-amino-9-[(2R,4S,5R)-5-ethyl-3,4-dimethoxyoxolan-2-yl]-1H-purin-6-one;2-amino-9-[(2R,4S,5R)-5-ethyl-4-[hydroxy(methoxy)phosphinothioyl]oxy-3-methoxyoxolan-2-yl]-1H-purin-6-one;[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-ethyl-4-methoxyoxolan-3-yl] methyl hydrogen phosphate;9-[(2R,4S,5R)-5-ethyl-4-[hydroxy(methoxy)phosphinothioyl]oxy-3-methoxyoxolan-2-yl]purin-6-amine.

What is the SMILES notation for 2-amino-9-[(2R,4S,5R)-5-ethyl-3,4-dimethoxyoxolan-2-yl]-1H-purin-6-one;2-amino-9-[(2R,4S,5R)-5-ethyl-4-[hydroxy(methoxy)phosphinothioyl]oxy-3-methoxyoxolan-2-yl]-1H-purin-6-one;[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-ethyl-4-methoxyoxolan-3-yl] methyl hydrogen phosphate;9-[(2R,4S,5R)-5-ethyl-4-[hydroxy(methoxy)phosphinothioyl]oxy-3-methoxyoxolan-2-yl]purin-6-amine?

The canonical SMILES for 2-amino-9-[(2R,4S,5R)-5-ethyl-3,4-dimethoxyoxolan-2-yl]-1H-purin-6-one;2-amino-9-[(2R,4S,5R)-5-ethyl-4-[hydroxy(methoxy)phosphinothioyl]oxy-3-methoxyoxolan-2-yl]-1H-purin-6-one;[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-ethyl-4-methoxyoxolan-3-yl] methyl hydrogen phosphate;9-[(2R,4S,5R)-5-ethyl-4-[hydroxy(methoxy)phosphinothioyl]oxy-3-methoxyoxolan-2-yl]purin-6-amine is CC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)C(OC)[C@H]1OC.CC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)C(OC)[C@H]1OP(=O)(O)OC.CC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)C(OC)[C@H]1OP(O)(=S)OC.CC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)C(OC)[C@H]1OP(O)(=S)OC.

What is the InChIKey of 2-amino-9-[(2R,4S,5R)-5-ethyl-3,4-dimethoxyoxolan-2-yl]-1H-purin-6-one;2-amino-9-[(2R,4S,5R)-5-ethyl-4-[hydroxy(methoxy)phosphinothioyl]oxy-3-methoxyoxolan-2-yl]-1H-purin-6-one;[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-ethyl-4-methoxyoxolan-3-yl] methyl hydrogen phosphate;9-[(2R,4S,5R)-5-ethyl-4-[hydroxy(methoxy)phosphinothioyl]oxy-3-methoxyoxolan-2-yl]purin-6-amine?

The InChIKey is JSZNIHGJDXUBAF-UAFPIDFUSA-N. The full InChI is InChI=1S/C13H20N5O7P.C13H20N5O6PS.C13H20N5O5PS.C13H19N5O4/c1-4-6-8(25-26(20,21)23-3)9(22-2)12(24-6)18-5-15-7-10(18)16-13(14)17-11(7)19;1-4-6-8(24-25(20,26)22-3)9(21-2)12(23-6)18-5-15-7-10(18)16-13(14)17-11(7)19;1-4-7-9(23-24(19,25)21-3)10(20-2)13(22-7)18-6-17-8-11(14)15-5-16-12(8)18;1-4-6-8(20-2)9(21-3)12(22-6)18-5-15-7-10(18)16-13(14)17-11(7)19/h5-6,8-9,12H,4H2,1-3H3,(H,20,21)(H3,14,16,17,19);5-6,8-9,12H,4H2,1-3H3,(H,20,26)(H3,14,16,17,19);5-7,9-10,13H,4H2,1-3H3,(H,19,25)(H2,14,15,16);5-6,8-9,12H,4H2,1-3H3,(H3,14,16,17,19)/t6-,8+,9?,12-;6-,8+,9?,12-,25?;7-,9+,10?,13-,24?;6-,8+,9?,12-/m1111/s1.

What are the key properties of 2-amino-9-[(2R,4S,5R)-5-ethyl-3,4-dimethoxyoxolan-2-yl]-1H-purin-6-one;2-amino-9-[(2R,4S,5R)-5-ethyl-4-[hydroxy(methoxy)phosphinothioyl]oxy-3-methoxyoxolan-2-yl]-1H-purin-6-one;[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-ethyl-4-methoxyoxolan-3-yl] methyl hydrogen phosphate;9-[(2R,4S,5R)-5-ethyl-4-[hydroxy(methoxy)phosphinothioyl]oxy-3-methoxyoxolan-2-yl]purin-6-amine?

2-amino-9-[(2R,4S,5R)-5-ethyl-3,4-dimethoxyoxolan-2-yl]-1H-purin-6-one;2-amino-9-[(2R,4S,5R)-5-ethyl-4-[hydroxy(methoxy)phosphinothioyl]oxy-3-methoxyoxolan-2-yl]-1H-purin-6-one;[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-ethyl-4-methoxyoxolan-3-yl] methyl hydrogen phosphate;9-[(2R,4S,5R)-5-ethyl-4-[hydroxy(methoxy)phosphinothioyl]oxy-3-methoxyoxolan-2-yl]purin-6-amine has a molecular weight of 1493.38 g/mol, XLogP of 1.45, 22 rotatable bonds, 10 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-9-[(2R,4S,5R)-5-ethyl-3,4-dimethoxyoxolan-2-yl]-1H-purin-6-one;2-amino-9-[(2R,4S,5R)-5-ethyl-4-[hydroxy(methoxy)phosphinothioyl]oxy-3-methoxyoxolan-2-yl]-1H-purin-6-one;[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-ethyl-4-methoxyoxolan-3-yl] methyl hydrogen phosphate;9-[(2R,4S,5R)-5-ethyl-4-[hydroxy(methoxy)phosphinothioyl]oxy-3-methoxyoxolan-2-yl]purin-6-amine is sourced from PubChem (CID 159015180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).