[(2R,4S,5R)-2-[[[(2R,3S,5R)-2-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)-4-fluorooxolan-3-yl]oxy-oxo-sulfanylphosphanium

C20H24FN10O10P2S2+ — CID 137149298

About [(2R,4S,5R)-2-[[[(2R,3S,5R)-2-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)-4-fluorooxolan-3-yl]oxy-oxo-sulfanylphosphanium

[(2R,4S,5R)-2-[[[(2R,3S,5R)-2-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)-4-fluorooxolan-3-yl]oxy-oxo-sulfanylphosphanium (PubChem CID 137149298) has the molecular formula C20H24FN10O10P2S2+ and a molecular weight of 709.55 g/mol. Its IUPAC name is [(2R,4S,5R)-2-[[[(2R,3S,5R)-2-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)-4-fluorooxolan-3-yl]oxy-oxo-sulfanylphosphanium.

Molecular Properties

• Compound Name: [(2R,4S,5R)-2-[[[(2R,3S,5R)-2-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)-4-fluorooxolan-3-yl]oxy-oxo-sulfanylphosphanium
• PubChem CID: 137149298
• Molecular Formula: C20H24FN10O10P2S2+
• Molecular Weight: 709.55 g/mol
• Exact Mass: 709.06
• IUPAC Name: [(2R,4S,5R)-2-[[[(2R,3S,5R)-2-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)-4-fluorooxolan-3-yl]oxy-oxo-sulfanylphosphanium
• SMILES: Nc1nc2c(ncn2[C@@H]2O[C@H](CO)C(O)[C@@H]2OP(O)(=S)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@@H](F)C2O[P+](=O)S)c(=O)[nH]1
• InChI: InChI=1S/C20H23FN10O10P2S2/c21-8-12(40-42(35)44)7(39-18(8)30-4-26-9-14(22)24-3-25-15(9)30)2-37-43(36,45)41-13-11(33)6(1-32)38-19(13)31-5-27-10-16(31)28-20(23)29-17(10)34/h3-8,11-13,18-19,32-33H,1-2H2,(H6-,22,23,24,25,28,29,34,35,36,44,45)/p+1/t6-,7-,8+,11?,12?,13+,18-,19-,43?/m1/s1
• InChIKey: DCWSNSLLJPIMMP-NPHSLQOXSA-O
• XLogP: -0.80
• TPSA: 283.12 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 19
• Rotatable Bonds: 10
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	709.55
LogP ≤ 5	-0.80
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(2R,4S,5R)-2-[[[(2R,3S,5R)-2-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)-4-fluorooxolan-3-yl]oxy-oxo-sulfanylphosphanium?

The IUPAC name of [(2R,4S,5R)-2-[[[(2R,3S,5R)-2-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)-4-fluorooxolan-3-yl]oxy-oxo-sulfanylphosphanium (CID 137149298) is [(2R,4S,5R)-2-[[[(2R,3S,5R)-2-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)-4-fluorooxolan-3-yl]oxy-oxo-sulfanylphosphanium.

What is the SMILES notation for [(2R,4S,5R)-2-[[[(2R,3S,5R)-2-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)-4-fluorooxolan-3-yl]oxy-oxo-sulfanylphosphanium?

The canonical SMILES for [(2R,4S,5R)-2-[[[(2R,3S,5R)-2-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)-4-fluorooxolan-3-yl]oxy-oxo-sulfanylphosphanium is Nc1nc2c(ncn2[C@@H]2O[C@H](CO)C(O)[C@@H]2OP(O)(=S)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@@H](F)C2O[P+](=O)S)c(=O)[nH]1.

What is the InChIKey of [(2R,4S,5R)-2-[[[(2R,3S,5R)-2-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)-4-fluorooxolan-3-yl]oxy-oxo-sulfanylphosphanium?

The InChIKey is DCWSNSLLJPIMMP-NPHSLQOXSA-O. The full InChI is InChI=1S/C20H23FN10O10P2S2/c21-8-12(40-42(35)44)7(39-18(8)30-4-26-9-14(22)24-3-25-15(9)30)2-37-43(36,45)41-13-11(33)6(1-32)38-19(13)31-5-27-10-16(31)28-20(23)29-17(10)34/h3-8,11-13,18-19,32-33H,1-2H2,(H6-,22,23,24,25,28,29,34,35,36,44,45)/p+1/t6-,7-,8+,11?,12?,13+,18-,19-,43?/m1/s1.

What are the key properties of [(2R,4S,5R)-2-[[[(2R,3S,5R)-2-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)-4-fluorooxolan-3-yl]oxy-oxo-sulfanylphosphanium?

[(2R,4S,5R)-2-[[[(2R,3S,5R)-2-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)-4-fluorooxolan-3-yl]oxy-oxo-sulfanylphosphanium has a molecular weight of 709.55 g/mol, XLogP of -0.80, 10 rotatable bonds, 7 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,4S,5R)-2-[[[(2R,3S,5R)-2-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)-4-fluorooxolan-3-yl]oxy-oxo-sulfanylphosphanium is sourced from PubChem (CID 137149298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).