[2-[[[2-(2-amino-6-oxo-1H-purin-9-yl)-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)-4-fluoro-4-methyloxolan-3-yl]oxy-hydroxy-oxophosphanium

C21H26FN10O11P2+ — CID 163434444

About [2-[[[2-(2-amino-6-oxo-1H-purin-9-yl)-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)-4-fluoro-4-methyloxolan-3-yl]oxy-hydroxy-oxophosphanium

[2-[[[2-(2-amino-6-oxo-1H-purin-9-yl)-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)-4-fluoro-4-methyloxolan-3-yl]oxy-hydroxy-oxophosphanium (PubChem CID 163434444) has the molecular formula C21H26FN10O11P2+ and a molecular weight of 675.44 g/mol. Its IUPAC name is [2-[[[2-(2-amino-6-oxo-1H-purin-9-yl)-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)-4-fluoro-4-methyloxolan-3-yl]oxy-hydroxy-oxophosphanium.

Molecular Properties

• Compound Name: [2-[[[2-(2-amino-6-oxo-1H-purin-9-yl)-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)-4-fluoro-4-methyloxolan-3-yl]oxy-hydroxy-oxophosphanium
• PubChem CID: 163434444
• Molecular Formula: C21H26FN10O11P2+
• Molecular Weight: 675.44 g/mol
• Exact Mass: 675.12
• IUPAC Name: [2-[[[2-(2-amino-6-oxo-1H-purin-9-yl)-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)-4-fluoro-4-methyloxolan-3-yl]oxy-hydroxy-oxophosphanium
• SMILES: CC1(F)C(O[P+](=O)O)C(COP(=O)(O)OC2CC(CO)OC2n2cnc3c(=O)[nH]c(N)nc32)OC1n1cnc2c(N)ncnc21
• InChI: InChI=1S/C21H25FN10O11P2/c1-21(22)13(42-44(35)36)10(41-19(21)32-7-27-11-14(23)25-5-26-15(11)32)4-39-45(37,38)43-9-2-8(3-33)40-18(9)31-6-28-12-16(31)29-20(24)30-17(12)34/h5-10,13,18-19,33H,2-4H2,1H3,(H6-,23,24,25,26,29,30,34,35,36,37,38)/p+1
• InChIKey: BALROJYWEZFYCS-UHFFFAOYSA-O
• XLogP: -0.43
• TPSA: 300.19 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 18
• Rotatable Bonds: 10
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	675.44
LogP ≤ 5	-0.43
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2-[[[2-(2-amino-6-oxo-1H-purin-9-yl)-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)-4-fluoro-4-methyloxolan-3-yl]oxy-hydroxy-oxophosphanium?

The IUPAC name of [2-[[[2-(2-amino-6-oxo-1H-purin-9-yl)-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)-4-fluoro-4-methyloxolan-3-yl]oxy-hydroxy-oxophosphanium (CID 163434444) is [2-[[[2-(2-amino-6-oxo-1H-purin-9-yl)-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)-4-fluoro-4-methyloxolan-3-yl]oxy-hydroxy-oxophosphanium.

What is the SMILES notation for [2-[[[2-(2-amino-6-oxo-1H-purin-9-yl)-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)-4-fluoro-4-methyloxolan-3-yl]oxy-hydroxy-oxophosphanium?

The canonical SMILES for [2-[[[2-(2-amino-6-oxo-1H-purin-9-yl)-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)-4-fluoro-4-methyloxolan-3-yl]oxy-hydroxy-oxophosphanium is CC1(F)C(O[P+](=O)O)C(COP(=O)(O)OC2CC(CO)OC2n2cnc3c(=O)[nH]c(N)nc32)OC1n1cnc2c(N)ncnc21.

What is the InChIKey of [2-[[[2-(2-amino-6-oxo-1H-purin-9-yl)-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)-4-fluoro-4-methyloxolan-3-yl]oxy-hydroxy-oxophosphanium?

The InChIKey is BALROJYWEZFYCS-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H25FN10O11P2/c1-21(22)13(42-44(35)36)10(41-19(21)32-7-27-11-14(23)25-5-26-15(11)32)4-39-45(37,38)43-9-2-8(3-33)40-18(9)31-6-28-12-16(31)29-20(24)30-17(12)34/h5-10,13,18-19,33H,2-4H2,1H3,(H6-,23,24,25,26,29,30,34,35,36,37,38)/p+1.

What are the key properties of [2-[[[2-(2-amino-6-oxo-1H-purin-9-yl)-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)-4-fluoro-4-methyloxolan-3-yl]oxy-hydroxy-oxophosphanium?

[2-[[[2-(2-amino-6-oxo-1H-purin-9-yl)-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)-4-fluoro-4-methyloxolan-3-yl]oxy-hydroxy-oxophosphanium has a molecular weight of 675.44 g/mol, XLogP of -0.43, 10 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[[[2-(2-amino-6-oxo-1H-purin-9-yl)-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)-4-fluoro-4-methyloxolan-3-yl]oxy-hydroxy-oxophosphanium is sourced from PubChem (CID 163434444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).