[3-[hydroxy-[[4-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinothioyl]oxy-5-(5-methyl-2,4-dioxo-1,3-diazinan-1-yl)oxolan-2-yl]methyl dihydrogen phosphate

C20H30N4O14P2S — CID 10189666

About [3-[hydroxy-[[4-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinothioyl]oxy-5-(5-methyl-2,4-dioxo-1,3-diazinan-1-yl)oxolan-2-yl]methyl dihydrogen phosphate

[3-[hydroxy-[[4-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinothioyl]oxy-5-(5-methyl-2,4-dioxo-1,3-diazinan-1-yl)oxolan-2-yl]methyl dihydrogen phosphate (PubChem CID 10189666) has the molecular formula C20H30N4O14P2S and a molecular weight of 644.49 g/mol. Its IUPAC name is [3-[hydroxy-[[4-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinothioyl]oxy-5-(5-methyl-2,4-dioxo-1,3-diazinan-1-yl)oxolan-2-yl]methyl dihydrogen phosphate.

Molecular Properties

• Compound Name: [3-[hydroxy-[[4-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinothioyl]oxy-5-(5-methyl-2,4-dioxo-1,3-diazinan-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
• PubChem CID: 10189666
• Molecular Formula: C20H30N4O14P2S
• Molecular Weight: 644.49 g/mol
• Exact Mass: 644.10
• IUPAC Name: [3-[hydroxy-[[4-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinothioyl]oxy-5-(5-methyl-2,4-dioxo-1,3-diazinan-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
• SMILES: Cc1cn(C2OC(COP(O)(=S)OC3CC(N4CC(C)C(=O)NC4=O)OC3COP(=O)(O)O)CC2O)c(=O)[nH]c1=O
• InChI: InChI=1S/C20H30N4O14P2S/c1-9-5-23(19(28)21-16(9)26)15-4-13(14(37-15)8-34-39(30,31)32)38-40(33,41)35-7-11-3-12(25)18(36-11)24-6-10(2)17(27)22-20(24)29/h6,9,11-15,18,25H,3-5,7-8H2,1-2H3,(H,33,41)(H,21,26,28)(H,22,27,29)(H2,30,31,32)
• InChIKey: RIDQGWCWRPYMAO-UHFFFAOYSA-N
• XLogP: -1.48
• TPSA: 248.41 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 13
• Rotatable Bonds: 10
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	644.49
LogP ≤ 5	-1.48
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [3-[hydroxy-[[4-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinothioyl]oxy-5-(5-methyl-2,4-dioxo-1,3-diazinan-1-yl)oxolan-2-yl]methyl dihydrogen phosphate?

The IUPAC name of [3-[hydroxy-[[4-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinothioyl]oxy-5-(5-methyl-2,4-dioxo-1,3-diazinan-1-yl)oxolan-2-yl]methyl dihydrogen phosphate (CID 10189666) is [3-[hydroxy-[[4-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinothioyl]oxy-5-(5-methyl-2,4-dioxo-1,3-diazinan-1-yl)oxolan-2-yl]methyl dihydrogen phosphate.

What is the SMILES notation for [3-[hydroxy-[[4-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinothioyl]oxy-5-(5-methyl-2,4-dioxo-1,3-diazinan-1-yl)oxolan-2-yl]methyl dihydrogen phosphate?

The canonical SMILES for [3-[hydroxy-[[4-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinothioyl]oxy-5-(5-methyl-2,4-dioxo-1,3-diazinan-1-yl)oxolan-2-yl]methyl dihydrogen phosphate is Cc1cn(C2OC(COP(O)(=S)OC3CC(N4CC(C)C(=O)NC4=O)OC3COP(=O)(O)O)CC2O)c(=O)[nH]c1=O.

What is the InChIKey of [3-[hydroxy-[[4-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinothioyl]oxy-5-(5-methyl-2,4-dioxo-1,3-diazinan-1-yl)oxolan-2-yl]methyl dihydrogen phosphate?

The InChIKey is RIDQGWCWRPYMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O14P2S/c1-9-5-23(19(28)21-16(9)26)15-4-13(14(37-15)8-34-39(30,31)32)38-40(33,41)35-7-11-3-12(25)18(36-11)24-6-10(2)17(27)22-20(24)29/h6,9,11-15,18,25H,3-5,7-8H2,1-2H3,(H,33,41)(H,21,26,28)(H,22,27,29)(H2,30,31,32).

What are the key properties of [3-[hydroxy-[[4-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinothioyl]oxy-5-(5-methyl-2,4-dioxo-1,3-diazinan-1-yl)oxolan-2-yl]methyl dihydrogen phosphate?

[3-[hydroxy-[[4-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinothioyl]oxy-5-(5-methyl-2,4-dioxo-1,3-diazinan-1-yl)oxolan-2-yl]methyl dihydrogen phosphate has a molecular weight of 644.49 g/mol, XLogP of -1.48, 10 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[hydroxy-[[4-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinothioyl]oxy-5-(5-methyl-2,4-dioxo-1,3-diazinan-1-yl)oxolan-2-yl]methyl dihydrogen phosphate is sourced from PubChem (CID 10189666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).