[(2R,3R,4R,5R)-3-[[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methoxy-methylphosphoryl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-2-yl]methyl [(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-yl] hydrogen phosphate

C31H43N7O20P2 — CID 11766242

About [(2R,3R,4R,5R)-3-[[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methoxy-methylphosphoryl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-2-yl]methyl [(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-yl] hydrogen phosphate

[(2R,3R,4R,5R)-3-[[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methoxy-methylphosphoryl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-2-yl]methyl [(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-yl] hydrogen phosphate (PubChem CID 11766242) has the molecular formula C31H43N7O20P2 and a molecular weight of 895.66 g/mol. Its IUPAC name is [(2R,3R,4R,5R)-3-[[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methoxy-methylphosphoryl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-2-yl]methyl [(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-yl] hydrogen phosphate.

Molecular Properties

• Compound Name: [(2R,3R,4R,5R)-3-[[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methoxy-methylphosphoryl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-2-yl]methyl [(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-yl] hydrogen phosphate
• PubChem CID: 11766242
• Molecular Formula: C31H43N7O20P2
• Molecular Weight: 895.66 g/mol
• Exact Mass: 895.20
• IUPAC Name: [(2R,3R,4R,5R)-3-[[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methoxy-methylphosphoryl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-2-yl]methyl [(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-yl] hydrogen phosphate
• SMILES: CO[C@@H]1[C@H](O)[C@@H](COP(C)(=O)O[C@H]2[C@@H](OC)[C@H](n3ccc(=O)[nH]c3=O)O[C@@H]2COP(=O)(O)O[C@H]2[C@@H](OC)[C@H](n3ccc(=O)[nH]c3=O)O[C@@H]2CO)O[C@H]1n1ccc(N)nc1=O
• InChI: InChI=1S/C31H43N7O20P2/c1-49-23-20(42)15(55-26(23)36-8-5-17(32)33-29(36)43)12-52-59(4,46)57-22-16(56-28(25(22)51-3)38-10-7-19(41)35-31(38)45)13-53-60(47,48)58-21-14(11-39)54-27(24(21)50-2)37-9-6-18(40)34-30(37)44/h5-10,14-16,20-28,39,42H,11-13H2,1-4H3,(H,47,48)(H2,32,33,43)(H,34,40,44)(H,35,41,45)/t14-,15-,16-,20-,21-,22-,23-,24-,25-,26-,27-,28-,59?/m1/s1
• InChIKey: SKHRSFZGNWBXJN-NTYGGGCSSA-N
• XLogP: -3.26
• TPSA: 357.76 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 24
• Rotatable Bonds: 17
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	895.66
LogP ≤ 5	-3.26
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R,5R)-3-[[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methoxy-methylphosphoryl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-2-yl]methyl [(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-yl] hydrogen phosphate?

The IUPAC name of [(2R,3R,4R,5R)-3-[[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methoxy-methylphosphoryl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-2-yl]methyl [(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-yl] hydrogen phosphate (CID 11766242) is [(2R,3R,4R,5R)-3-[[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methoxy-methylphosphoryl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-2-yl]methyl [(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-yl] hydrogen phosphate.

What is the SMILES notation for [(2R,3R,4R,5R)-3-[[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methoxy-methylphosphoryl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-2-yl]methyl [(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-yl] hydrogen phosphate?

The canonical SMILES for [(2R,3R,4R,5R)-3-[[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methoxy-methylphosphoryl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-2-yl]methyl [(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-yl] hydrogen phosphate is CO[C@@H]1[C@H](O)[C@@H](COP(C)(=O)O[C@H]2[C@@H](OC)[C@H](n3ccc(=O)[nH]c3=O)O[C@@H]2COP(=O)(O)O[C@H]2[C@@H](OC)[C@H](n3ccc(=O)[nH]c3=O)O[C@@H]2CO)O[C@H]1n1ccc(N)nc1=O.

What is the InChIKey of [(2R,3R,4R,5R)-3-[[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methoxy-methylphosphoryl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-2-yl]methyl [(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-yl] hydrogen phosphate?

The InChIKey is SKHRSFZGNWBXJN-NTYGGGCSSA-N. The full InChI is InChI=1S/C31H43N7O20P2/c1-49-23-20(42)15(55-26(23)36-8-5-17(32)33-29(36)43)12-52-59(4,46)57-22-16(56-28(25(22)51-3)38-10-7-19(41)35-31(38)45)13-53-60(47,48)58-21-14(11-39)54-27(24(21)50-2)37-9-6-18(40)34-30(37)44/h5-10,14-16,20-28,39,42H,11-13H2,1-4H3,(H,47,48)(H2,32,33,43)(H,34,40,44)(H,35,41,45)/t14-,15-,16-,20-,21-,22-,23-,24-,25-,26-,27-,28-,59?/m1/s1.

What are the key properties of [(2R,3R,4R,5R)-3-[[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methoxy-methylphosphoryl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-2-yl]methyl [(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-yl] hydrogen phosphate?

[(2R,3R,4R,5R)-3-[[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methoxy-methylphosphoryl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-2-yl]methyl [(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-yl] hydrogen phosphate has a molecular weight of 895.66 g/mol, XLogP of -3.26, 17 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3R,4R,5R)-3-[[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methoxy-methylphosphoryl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-2-yl]methyl [(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-yl] hydrogen phosphate is sourced from PubChem (CID 11766242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).