[(2R)-5-[[[(3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-hydroxy-3-(hydroxymethyl)cyclopentyl]oxy-hydroxyphosphoryl]oxymethyl]-2-(7-aminotriazolo[4,5-d]pyrimidin-3-yl)-3-hydroxy-2,3-dihydrofuran-4-yl]oxy-hydroxy-oxophosphanium

C20H24N11O12P2+ — CID 153357544

About [(2R)-5-[[[(3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-hydroxy-3-(hydroxymethyl)cyclopentyl]oxy-hydroxyphosphoryl]oxymethyl]-2-(7-aminotriazolo[4,5-d]pyrimidin-3-yl)-3-hydroxy-2,3-dihydrofuran-4-yl]oxy-hydroxy-oxophosphanium

[(2R)-5-[[[(3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-hydroxy-3-(hydroxymethyl)cyclopentyl]oxy-hydroxyphosphoryl]oxymethyl]-2-(7-aminotriazolo[4,5-d]pyrimidin-3-yl)-3-hydroxy-2,3-dihydrofuran-4-yl]oxy-hydroxy-oxophosphanium (PubChem CID 153357544) has the molecular formula C20H24N11O12P2+ and a molecular weight of 672.42 g/mol. Its IUPAC name is [(2R)-5-[[[(3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-hydroxy-3-(hydroxymethyl)cyclopentyl]oxy-hydroxyphosphoryl]oxymethyl]-2-(7-aminotriazolo[4,5-d]pyrimidin-3-yl)-3-hydroxy-2,3-dihydrofuran-4-yl]oxy-hydroxy-oxophosphanium.

Molecular Properties

• Compound Name: [(2R)-5-[[[(3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-hydroxy-3-(hydroxymethyl)cyclopentyl]oxy-hydroxyphosphoryl]oxymethyl]-2-(7-aminotriazolo[4,5-d]pyrimidin-3-yl)-3-hydroxy-2,3-dihydrofuran-4-yl]oxy-hydroxy-oxophosphanium
• PubChem CID: 153357544
• Molecular Formula: C20H24N11O12P2+
• Molecular Weight: 672.42 g/mol
• Exact Mass: 672.11
• IUPAC Name: [(2R)-5-[[[(3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-hydroxy-3-(hydroxymethyl)cyclopentyl]oxy-hydroxyphosphoryl]oxymethyl]-2-(7-aminotriazolo[4,5-d]pyrimidin-3-yl)-3-hydroxy-2,3-dihydrofuran-4-yl]oxy-hydroxy-oxophosphanium
• SMILES: Nc1nc2c(ncn2[C@@H]2C[C@H](CO)C(O)C2OP(=O)(O)OCC2=C(O[P+](=O)O)C(O)[C@H](n3nnc4c(N)ncnc43)O2)c(=O)[nH]1
• InChI: InChI=1S/C20H23N11O12P2/c21-15-9-16(24-4-23-15)31(29-28-9)19-12(34)14(42-44(36)37)8(41-19)3-40-45(38,39)43-13-7(1-6(2-32)11(13)33)30-5-25-10-17(30)26-20(22)27-18(10)35/h4-7,11-13,19,32-34H,1-3H2,(H6-,21,22,23,24,26,27,29,35,36,37,38,39)/p+1/t6-,7-,11?,12?,13?,19-/m1/s1
• InChIKey: UTGIWOJFULNTHJ-JJEQJMTRSA-O
• XLogP: -2.30
• TPSA: 344.31 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 20
• Rotatable Bonds: 10
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	672.42
LogP ≤ 5	-2.30
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2R)-5-[[[(3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-hydroxy-3-(hydroxymethyl)cyclopentyl]oxy-hydroxyphosphoryl]oxymethyl]-2-(7-aminotriazolo[4,5-d]pyrimidin-3-yl)-3-hydroxy-2,3-dihydrofuran-4-yl]oxy-hydroxy-oxophosphanium?

The IUPAC name of [(2R)-5-[[[(3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-hydroxy-3-(hydroxymethyl)cyclopentyl]oxy-hydroxyphosphoryl]oxymethyl]-2-(7-aminotriazolo[4,5-d]pyrimidin-3-yl)-3-hydroxy-2,3-dihydrofuran-4-yl]oxy-hydroxy-oxophosphanium (CID 153357544) is [(2R)-5-[[[(3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-hydroxy-3-(hydroxymethyl)cyclopentyl]oxy-hydroxyphosphoryl]oxymethyl]-2-(7-aminotriazolo[4,5-d]pyrimidin-3-yl)-3-hydroxy-2,3-dihydrofuran-4-yl]oxy-hydroxy-oxophosphanium.

What is the SMILES notation for [(2R)-5-[[[(3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-hydroxy-3-(hydroxymethyl)cyclopentyl]oxy-hydroxyphosphoryl]oxymethyl]-2-(7-aminotriazolo[4,5-d]pyrimidin-3-yl)-3-hydroxy-2,3-dihydrofuran-4-yl]oxy-hydroxy-oxophosphanium?

The canonical SMILES for [(2R)-5-[[[(3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-hydroxy-3-(hydroxymethyl)cyclopentyl]oxy-hydroxyphosphoryl]oxymethyl]-2-(7-aminotriazolo[4,5-d]pyrimidin-3-yl)-3-hydroxy-2,3-dihydrofuran-4-yl]oxy-hydroxy-oxophosphanium is Nc1nc2c(ncn2[C@@H]2C[C@H](CO)C(O)C2OP(=O)(O)OCC2=C(O[P+](=O)O)C(O)[C@H](n3nnc4c(N)ncnc43)O2)c(=O)[nH]1.

What is the InChIKey of [(2R)-5-[[[(3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-hydroxy-3-(hydroxymethyl)cyclopentyl]oxy-hydroxyphosphoryl]oxymethyl]-2-(7-aminotriazolo[4,5-d]pyrimidin-3-yl)-3-hydroxy-2,3-dihydrofuran-4-yl]oxy-hydroxy-oxophosphanium?

The InChIKey is UTGIWOJFULNTHJ-JJEQJMTRSA-O. The full InChI is InChI=1S/C20H23N11O12P2/c21-15-9-16(24-4-23-15)31(29-28-9)19-12(34)14(42-44(36)37)8(41-19)3-40-45(38,39)43-13-7(1-6(2-32)11(13)33)30-5-25-10-17(30)26-20(22)27-18(10)35/h4-7,11-13,19,32-34H,1-3H2,(H6-,21,22,23,24,26,27,29,35,36,37,38,39)/p+1/t6-,7-,11?,12?,13?,19-/m1/s1.

What are the key properties of [(2R)-5-[[[(3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-hydroxy-3-(hydroxymethyl)cyclopentyl]oxy-hydroxyphosphoryl]oxymethyl]-2-(7-aminotriazolo[4,5-d]pyrimidin-3-yl)-3-hydroxy-2,3-dihydrofuran-4-yl]oxy-hydroxy-oxophosphanium?

[(2R)-5-[[[(3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-hydroxy-3-(hydroxymethyl)cyclopentyl]oxy-hydroxyphosphoryl]oxymethyl]-2-(7-aminotriazolo[4,5-d]pyrimidin-3-yl)-3-hydroxy-2,3-dihydrofuran-4-yl]oxy-hydroxy-oxophosphanium has a molecular weight of 672.42 g/mol, XLogP of -2.30, 10 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-5-[[[(3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-hydroxy-3-(hydroxymethyl)cyclopentyl]oxy-hydroxyphosphoryl]oxymethyl]-2-(7-aminotriazolo[4,5-d]pyrimidin-3-yl)-3-hydroxy-2,3-dihydrofuran-4-yl]oxy-hydroxy-oxophosphanium is sourced from PubChem (CID 153357544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).