[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-bis(prop-2-enoxy)oxolan-2-yl]methyl [(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-[[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)-4-prop-2-enoxyoxolan-3-yl]oxy-prop-2-enoxyphosphoryl]oxymethyl]-4-prop-2-enoxyoxolan-3-yl] prop-2-enyl phosphate

C45H58N6O22P2 — CID 23649703

About [(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-bis(prop-2-enoxy)oxolan-2-yl]methyl [(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-[[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)-4-prop-2-enoxyoxolan-3-yl]oxy-prop-2-enoxyphosphoryl]oxymethyl]-4-prop-2-enoxyoxolan-3-yl] prop-2-enyl phosphate

[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-bis(prop-2-enoxy)oxolan-2-yl]methyl [(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-[[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)-4-prop-2-enoxyoxolan-3-yl]oxy-prop-2-enoxyphosphoryl]oxymethyl]-4-prop-2-enoxyoxolan-3-yl] prop-2-enyl phosphate (PubChem CID 23649703) has the molecular formula C45H58N6O22P2 and a molecular weight of 1096.93 g/mol. Its IUPAC name is [(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-bis(prop-2-enoxy)oxolan-2-yl]methyl [(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-[[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)-4-prop-2-enoxyoxolan-3-yl]oxy-prop-2-enoxyphosphoryl]oxymethyl]-4-prop-2-enoxyoxolan-3-yl] prop-2-enyl phosphate.

Molecular Properties

• Compound Name: [(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-bis(prop-2-enoxy)oxolan-2-yl]methyl [(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-[[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)-4-prop-2-enoxyoxolan-3-yl]oxy-prop-2-enoxyphosphoryl]oxymethyl]-4-prop-2-enoxyoxolan-3-yl] prop-2-enyl phosphate
• PubChem CID: 23649703
• Molecular Formula: C45H58N6O22P2
• Molecular Weight: 1096.93 g/mol
• Exact Mass: 1096.31
• IUPAC Name: [(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-bis(prop-2-enoxy)oxolan-2-yl]methyl [(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-[[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)-4-prop-2-enoxyoxolan-3-yl]oxy-prop-2-enoxyphosphoryl]oxymethyl]-4-prop-2-enoxyoxolan-3-yl] prop-2-enyl phosphate
• SMILES: C=CCO[C@@H]1[C@H](OCC=C)[C@@H](COP(=O)(OCC=C)O[C@H]2[C@@H](OCC=C)[C@H](n3ccc(=O)[nH]c3=O)O[C@@H]2COP(=O)(OCC=C)O[C@H]2[C@@H](OCC=C)[C@H](n3ccc(=O)[nH]c3=O)O[C@@H]2CO)O[C@H]1n1ccc(=O)[nH]c1=O
• InChI: InChI=1S/C45H58N6O22P2/c1-7-19-61-34-29(70-40(37(34)62-20-8-2)49-16-13-31(53)46-43(49)56)26-67-75(60,66-24-12-6)73-36-30(71-42(39(36)64-22-10-4)51-18-15-33(55)48-45(51)58)27-68-74(59,65-23-11-5)72-35-28(25-52)69-41(38(35)63-21-9-3)50-17-14-32(54)47-44(50)57/h7-18,28-30,34-42,52H,1-6,19-27H2,(H,46,53,56)(H,47,54,57)(H,48,55,58)/t28-,29-,30-,34-,35-,36-,37-,38-,39-,40-,41-,42-,74?,75?/m1/s1
• InChIKey: ZZFANBJYCHJUIB-DVVKCCISSA-N
• XLogP: 1.03
• TPSA: 338.94 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 25
• Rotatable Bonds: 32
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1096.93
LogP ≤ 5	1.03
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-bis(prop-2-enoxy)oxolan-2-yl]methyl [(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-[[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)-4-prop-2-enoxyoxolan-3-yl]oxy-prop-2-enoxyphosphoryl]oxymethyl]-4-prop-2-enoxyoxolan-3-yl] prop-2-enyl phosphate?

The IUPAC name of [(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-bis(prop-2-enoxy)oxolan-2-yl]methyl [(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-[[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)-4-prop-2-enoxyoxolan-3-yl]oxy-prop-2-enoxyphosphoryl]oxymethyl]-4-prop-2-enoxyoxolan-3-yl] prop-2-enyl phosphate (CID 23649703) is [(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-bis(prop-2-enoxy)oxolan-2-yl]methyl [(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-[[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)-4-prop-2-enoxyoxolan-3-yl]oxy-prop-2-enoxyphosphoryl]oxymethyl]-4-prop-2-enoxyoxolan-3-yl] prop-2-enyl phosphate.

What is the SMILES notation for [(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-bis(prop-2-enoxy)oxolan-2-yl]methyl [(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-[[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)-4-prop-2-enoxyoxolan-3-yl]oxy-prop-2-enoxyphosphoryl]oxymethyl]-4-prop-2-enoxyoxolan-3-yl] prop-2-enyl phosphate?

The canonical SMILES for [(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-bis(prop-2-enoxy)oxolan-2-yl]methyl [(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-[[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)-4-prop-2-enoxyoxolan-3-yl]oxy-prop-2-enoxyphosphoryl]oxymethyl]-4-prop-2-enoxyoxolan-3-yl] prop-2-enyl phosphate is C=CCO[C@@H]1[C@H](OCC=C)[C@@H](COP(=O)(OCC=C)O[C@H]2[C@@H](OCC=C)[C@H](n3ccc(=O)[nH]c3=O)O[C@@H]2COP(=O)(OCC=C)O[C@H]2[C@@H](OCC=C)[C@H](n3ccc(=O)[nH]c3=O)O[C@@H]2CO)O[C@H]1n1ccc(=O)[nH]c1=O.

What is the InChIKey of [(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-bis(prop-2-enoxy)oxolan-2-yl]methyl [(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-[[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)-4-prop-2-enoxyoxolan-3-yl]oxy-prop-2-enoxyphosphoryl]oxymethyl]-4-prop-2-enoxyoxolan-3-yl] prop-2-enyl phosphate?

The InChIKey is ZZFANBJYCHJUIB-DVVKCCISSA-N. The full InChI is InChI=1S/C45H58N6O22P2/c1-7-19-61-34-29(70-40(37(34)62-20-8-2)49-16-13-31(53)46-43(49)56)26-67-75(60,66-24-12-6)73-36-30(71-42(39(36)64-22-10-4)51-18-15-33(55)48-45(51)58)27-68-74(59,65-23-11-5)72-35-28(25-52)69-41(38(35)63-21-9-3)50-17-14-32(54)47-44(50)57/h7-18,28-30,34-42,52H,1-6,19-27H2,(H,46,53,56)(H,47,54,57)(H,48,55,58)/t28-,29-,30-,34-,35-,36-,37-,38-,39-,40-,41-,42-,74?,75?/m1/s1.

What are the key properties of [(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-bis(prop-2-enoxy)oxolan-2-yl]methyl [(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-[[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)-4-prop-2-enoxyoxolan-3-yl]oxy-prop-2-enoxyphosphoryl]oxymethyl]-4-prop-2-enoxyoxolan-3-yl] prop-2-enyl phosphate?

[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-bis(prop-2-enoxy)oxolan-2-yl]methyl [(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-[[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)-4-prop-2-enoxyoxolan-3-yl]oxy-prop-2-enoxyphosphoryl]oxymethyl]-4-prop-2-enoxyoxolan-3-yl] prop-2-enyl phosphate has a molecular weight of 1096.93 g/mol, XLogP of 1.03, 32 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-bis(prop-2-enoxy)oxolan-2-yl]methyl [(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-[[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)-4-prop-2-enoxyoxolan-3-yl]oxy-prop-2-enoxyphosphoryl]oxymethyl]-4-prop-2-enoxyoxolan-3-yl] prop-2-enyl phosphate is sourced from PubChem (CID 23649703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).