[(2R,3S,4R,5R)-5-(5-amino-7-oxo-6H-triazolo[4,5-d]pyrimidin-3-yl)-4-[[(2R,3R,4S,5R)-5-(7-aminotriazolo[4,5-d]pyrimidin-3-yl)-4-fluoro-3-methoxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-3-fluorothiolan-2-yl]methoxy-oxo-sulfanylphosphanium

C19H23F2N12O8P2S3+ — CID 140899339

About [(2R,3S,4R,5R)-5-(5-amino-7-oxo-6H-triazolo[4,5-d]pyrimidin-3-yl)-4-[[(2R,3R,4S,5R)-5-(7-aminotriazolo[4,5-d]pyrimidin-3-yl)-4-fluoro-3-methoxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-3-fluorothiolan-2-yl]methoxy-oxo-sulfanylphosphanium

[(2R,3S,4R,5R)-5-(5-amino-7-oxo-6H-triazolo[4,5-d]pyrimidin-3-yl)-4-[[(2R,3R,4S,5R)-5-(7-aminotriazolo[4,5-d]pyrimidin-3-yl)-4-fluoro-3-methoxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-3-fluorothiolan-2-yl]methoxy-oxo-sulfanylphosphanium (PubChem CID 140899339) has the molecular formula C19H23F2N12O8P2S3+ and a molecular weight of 743.61 g/mol. Its IUPAC name is [(2R,3S,4R,5R)-5-(5-amino-7-oxo-6H-triazolo[4,5-d]pyrimidin-3-yl)-4-[[(2R,3R,4S,5R)-5-(7-aminotriazolo[4,5-d]pyrimidin-3-yl)-4-fluoro-3-methoxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-3-fluorothiolan-2-yl]methoxy-oxo-sulfanylphosphanium.

Molecular Properties

• Compound Name: [(2R,3S,4R,5R)-5-(5-amino-7-oxo-6H-triazolo[4,5-d]pyrimidin-3-yl)-4-[[(2R,3R,4S,5R)-5-(7-aminotriazolo[4,5-d]pyrimidin-3-yl)-4-fluoro-3-methoxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-3-fluorothiolan-2-yl]methoxy-oxo-sulfanylphosphanium
• PubChem CID: 140899339
• Molecular Formula: C19H23F2N12O8P2S3+
• Molecular Weight: 743.61 g/mol
• Exact Mass: 743.04
• IUPAC Name: [(2R,3S,4R,5R)-5-(5-amino-7-oxo-6H-triazolo[4,5-d]pyrimidin-3-yl)-4-[[(2R,3R,4S,5R)-5-(7-aminotriazolo[4,5-d]pyrimidin-3-yl)-4-fluoro-3-methoxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-3-fluorothiolan-2-yl]methoxy-oxo-sulfanylphosphanium
• SMILES: CO[C@H]1[C@H](F)[C@H](n2nnc3c(N)ncnc32)O[C@@H]1COP(O)(=S)O[C@@H]1[C@H](F)[C@@H](CO[P+](=O)S)S[C@H]1n1nnc2c(=O)[nH]c(N)nc21
• InChI: InChI=1S/C19H22F2N12O8P2S3/c1-37-11-5(40-17(8(11)21)32-14-9(28-30-32)13(22)24-4-25-14)2-39-43(36,45)41-12-7(20)6(3-38-42(35)44)46-18(12)33-15-10(29-31-33)16(34)27-19(23)26-15/h4-8,11-12,17-18H,2-3H2,1H3,(H6-,22,23,24,25,26,27,30,31,34,35,36,44,45)/p+1/t5-,6-,7-,8+,11-,12-,17-,18-,43?/m1/s1
• InChIKey: VZUVFNNGJVWZER-BDSHAYLKSA-O
• XLogP: 0.34
• TPSA: 268.44 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 20
• Rotatable Bonds: 11
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	743.61
LogP ≤ 5	0.34
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	20

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,3S,4R,5R)-5-(5-amino-7-oxo-6H-triazolo[4,5-d]pyrimidin-3-yl)-4-[[(2R,3R,4S,5R)-5-(7-aminotriazolo[4,5-d]pyrimidin-3-yl)-4-fluoro-3-methoxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-3-fluorothiolan-2-yl]methoxy-oxo-sulfanylphosphanium?

The IUPAC name of [(2R,3S,4R,5R)-5-(5-amino-7-oxo-6H-triazolo[4,5-d]pyrimidin-3-yl)-4-[[(2R,3R,4S,5R)-5-(7-aminotriazolo[4,5-d]pyrimidin-3-yl)-4-fluoro-3-methoxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-3-fluorothiolan-2-yl]methoxy-oxo-sulfanylphosphanium (CID 140899339) is [(2R,3S,4R,5R)-5-(5-amino-7-oxo-6H-triazolo[4,5-d]pyrimidin-3-yl)-4-[[(2R,3R,4S,5R)-5-(7-aminotriazolo[4,5-d]pyrimidin-3-yl)-4-fluoro-3-methoxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-3-fluorothiolan-2-yl]methoxy-oxo-sulfanylphosphanium.

What is the SMILES notation for [(2R,3S,4R,5R)-5-(5-amino-7-oxo-6H-triazolo[4,5-d]pyrimidin-3-yl)-4-[[(2R,3R,4S,5R)-5-(7-aminotriazolo[4,5-d]pyrimidin-3-yl)-4-fluoro-3-methoxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-3-fluorothiolan-2-yl]methoxy-oxo-sulfanylphosphanium?

The canonical SMILES for [(2R,3S,4R,5R)-5-(5-amino-7-oxo-6H-triazolo[4,5-d]pyrimidin-3-yl)-4-[[(2R,3R,4S,5R)-5-(7-aminotriazolo[4,5-d]pyrimidin-3-yl)-4-fluoro-3-methoxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-3-fluorothiolan-2-yl]methoxy-oxo-sulfanylphosphanium is CO[C@H]1[C@H](F)[C@H](n2nnc3c(N)ncnc32)O[C@@H]1COP(O)(=S)O[C@@H]1[C@H](F)[C@@H](CO[P+](=O)S)S[C@H]1n1nnc2c(=O)[nH]c(N)nc21.

What is the InChIKey of [(2R,3S,4R,5R)-5-(5-amino-7-oxo-6H-triazolo[4,5-d]pyrimidin-3-yl)-4-[[(2R,3R,4S,5R)-5-(7-aminotriazolo[4,5-d]pyrimidin-3-yl)-4-fluoro-3-methoxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-3-fluorothiolan-2-yl]methoxy-oxo-sulfanylphosphanium?

The InChIKey is VZUVFNNGJVWZER-BDSHAYLKSA-O. The full InChI is InChI=1S/C19H22F2N12O8P2S3/c1-37-11-5(40-17(8(11)21)32-14-9(28-30-32)13(22)24-4-25-14)2-39-43(36,45)41-12-7(20)6(3-38-42(35)44)46-18(12)33-15-10(29-31-33)16(34)27-19(23)26-15/h4-8,11-12,17-18H,2-3H2,1H3,(H6-,22,23,24,25,26,27,30,31,34,35,36,44,45)/p+1/t5-,6-,7-,8+,11-,12-,17-,18-,43?/m1/s1.

What are the key properties of [(2R,3S,4R,5R)-5-(5-amino-7-oxo-6H-triazolo[4,5-d]pyrimidin-3-yl)-4-[[(2R,3R,4S,5R)-5-(7-aminotriazolo[4,5-d]pyrimidin-3-yl)-4-fluoro-3-methoxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-3-fluorothiolan-2-yl]methoxy-oxo-sulfanylphosphanium?

[(2R,3S,4R,5R)-5-(5-amino-7-oxo-6H-triazolo[4,5-d]pyrimidin-3-yl)-4-[[(2R,3R,4S,5R)-5-(7-aminotriazolo[4,5-d]pyrimidin-3-yl)-4-fluoro-3-methoxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-3-fluorothiolan-2-yl]methoxy-oxo-sulfanylphosphanium has a molecular weight of 743.61 g/mol, XLogP of 0.34, 11 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3S,4R,5R)-5-(5-amino-7-oxo-6H-triazolo[4,5-d]pyrimidin-3-yl)-4-[[(2R,3R,4S,5R)-5-(7-aminotriazolo[4,5-d]pyrimidin-3-yl)-4-fluoro-3-methoxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-3-fluorothiolan-2-yl]methoxy-oxo-sulfanylphosphanium is sourced from PubChem (CID 140899339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).