[(2R,3S,4R,5R,6R)-6-[[[(2R,3S,4R,5R)-3-acetyloxy-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl] acetate

C19H28N2O19P2 — CID 10818007

About [(2R,3S,4R,5R,6R)-6-[[[(2R,3S,4R,5R)-3-acetyloxy-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl] acetate

[(2R,3S,4R,5R,6R)-6-[[[(2R,3S,4R,5R)-3-acetyloxy-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl] acetate (PubChem CID 10818007) has the molecular formula C19H28N2O19P2 and a molecular weight of 650.38 g/mol. Its IUPAC name is [(2R,3S,4R,5R,6R)-6-[[[(2R,3S,4R,5R)-3-acetyloxy-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl] acetate.

Molecular Properties

• Compound Name: [(2R,3S,4R,5R,6R)-6-[[[(2R,3S,4R,5R)-3-acetyloxy-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl] acetate
• PubChem CID: 10818007
• Molecular Formula: C19H28N2O19P2
• Molecular Weight: 650.38 g/mol
• Exact Mass: 650.08
• IUPAC Name: [(2R,3S,4R,5R,6R)-6-[[[(2R,3S,4R,5R)-3-acetyloxy-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl] acetate
• SMILES: CC(=O)O[C@H]1[C@H](O)[C@@H](O)[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2OC(C)=O)O[C@@H]1CO
• InChI: InChI=1S/C19H28N2O19P2/c1-7(23)35-15-9(5-22)38-18(13(27)12(15)26)39-42(32,33)40-41(30,31)34-6-10-16(36-8(2)24)14(28)17(37-10)21-4-3-11(25)20-19(21)29/h3-4,9-10,12-18,22,26-28H,5-6H2,1-2H3,(H,30,31)(H,32,33)(H,20,25,29)/t9-,10-,12-,13-,14-,15-,16-,17-,18-/m1/s1
• InChIKey: XHCYCGFGIVVAML-FOLUKEIKSA-N
• XLogP: -3.65
• TPSA: 309.13 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 18
• Rotatable Bonds: 11
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	650.38
LogP ≤ 5	-3.65
H-Bond Donors ≤ 5	7
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 [(2R,3S,4R,5R,6R)-6-[[[(2R,3S,4R,5R)-3-acetyloxy-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl] acetate?

The IUPAC name of [(2R,3S,4R,5R,6R)-6-[[[(2R,3S,4R,5R)-3-acetyloxy-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl] acetate (CID 10818007) is [(2R,3S,4R,5R,6R)-6-[[[(2R,3S,4R,5R)-3-acetyloxy-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl] acetate.

What is the SMILES notation for [(2R,3S,4R,5R,6R)-6-[[[(2R,3S,4R,5R)-3-acetyloxy-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl] acetate?

The canonical SMILES for [(2R,3S,4R,5R,6R)-6-[[[(2R,3S,4R,5R)-3-acetyloxy-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl] acetate is CC(=O)O[C@H]1[C@H](O)[C@@H](O)[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2OC(C)=O)O[C@@H]1CO.

What is the InChIKey of [(2R,3S,4R,5R,6R)-6-[[[(2R,3S,4R,5R)-3-acetyloxy-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl] acetate?

The InChIKey is XHCYCGFGIVVAML-FOLUKEIKSA-N. The full InChI is InChI=1S/C19H28N2O19P2/c1-7(23)35-15-9(5-22)38-18(13(27)12(15)26)39-42(32,33)40-41(30,31)34-6-10-16(36-8(2)24)14(28)17(37-10)21-4-3-11(25)20-19(21)29/h3-4,9-10,12-18,22,26-28H,5-6H2,1-2H3,(H,30,31)(H,32,33)(H,20,25,29)/t9-,10-,12-,13-,14-,15-,16-,17-,18-/m1/s1.

What are the key properties of [(2R,3S,4R,5R,6R)-6-[[[(2R,3S,4R,5R)-3-acetyloxy-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl] acetate?

[(2R,3S,4R,5R,6R)-6-[[[(2R,3S,4R,5R)-3-acetyloxy-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl] acetate has a molecular weight of 650.38 g/mol, XLogP of -3.65, 11 rotatable bonds, 7 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3S,4R,5R,6R)-6-[[[(2R,3S,4R,5R)-3-acetyloxy-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl] acetate is sourced from PubChem (CID 10818007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).