[(2R,3S,4R,5S)-3,4-dihydroxy-5-(4-methoxyphenoxy)oxolan-2-yl]methoxy-[[[[[(2R,3S,4R,5S)-5-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methyl-hydroxyphosphoryl]methyl-hydroxyphosphoryl]methyl]phosphinic acid

C24H36N2O20P4 — CID 134486753

About [(2R,3S,4R,5S)-3,4-dihydroxy-5-(4-methoxyphenoxy)oxolan-2-yl]methoxy-[[[[[(2R,3S,4R,5S)-5-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methyl-hydroxyphosphoryl]methyl-hydroxyphosphoryl]methyl]phosphinic acid

[(2R,3S,4R,5S)-3,4-dihydroxy-5-(4-methoxyphenoxy)oxolan-2-yl]methoxy-[[[[[(2R,3S,4R,5S)-5-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methyl-hydroxyphosphoryl]methyl-hydroxyphosphoryl]methyl]phosphinic acid (PubChem CID 134486753) has the molecular formula C24H36N2O20P4 and a molecular weight of 796.44 g/mol. Its IUPAC name is [(2R,3S,4R,5S)-3,4-dihydroxy-5-(4-methoxyphenoxy)oxolan-2-yl]methoxy-[[[[[(2R,3S,4R,5S)-5-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methyl-hydroxyphosphoryl]methyl-hydroxyphosphoryl]methyl]phosphinic acid.

Molecular Properties

• Compound Name: [(2R,3S,4R,5S)-3,4-dihydroxy-5-(4-methoxyphenoxy)oxolan-2-yl]methoxy-[[[[[(2R,3S,4R,5S)-5-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methyl-hydroxyphosphoryl]methyl-hydroxyphosphoryl]methyl]phosphinic acid
• PubChem CID: 134486753
• Molecular Formula: C24H36N2O20P4
• Molecular Weight: 796.44 g/mol
• Exact Mass: 796.08
• IUPAC Name: [(2R,3S,4R,5S)-3,4-dihydroxy-5-(4-methoxyphenoxy)oxolan-2-yl]methoxy-[[[[[(2R,3S,4R,5S)-5-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methyl-hydroxyphosphoryl]methyl-hydroxyphosphoryl]methyl]phosphinic acid
• SMILES: COc1ccc(O[C@@H]2O[C@H](COP(=O)(O)CP(=O)(O)CP(=O)(O)CP(=O)(O)OC[C@H]3O[C@@H](c4c[nH]c(=O)[nH]c4=O)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)cc1
• InChI: InChI=1S/C24H36N2O20P4/c1-41-12-2-4-13(5-3-12)44-23-20(30)18(28)16(46-23)8-43-50(39,40)11-48(35,36)9-47(33,34)10-49(37,38)42-7-15-17(27)19(29)21(45-15)14-6-25-24(32)26-22(14)31/h2-6,15-21,23,27-30H,7-11H2,1H3,(H,33,34)(H,35,36)(H,37,38)(H,39,40)(H2,25,26,31,32)/t15-,16-,17-,18-,19-,20-,21+,23-/m1/s1
• InChIKey: DYEWJFIUZBXRLV-OGRYDBARSA-N
• XLogP: -1.42
• TPSA: 351.22 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 16
• Rotatable Bonds: 16
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	796.44
LogP ≤ 5	-1.42
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4R,5S)-3,4-dihydroxy-5-(4-methoxyphenoxy)oxolan-2-yl]methoxy-[[[[[(2R,3S,4R,5S)-5-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methyl-hydroxyphosphoryl]methyl-hydroxyphosphoryl]methyl]phosphinic acid?

The IUPAC name of [(2R,3S,4R,5S)-3,4-dihydroxy-5-(4-methoxyphenoxy)oxolan-2-yl]methoxy-[[[[[(2R,3S,4R,5S)-5-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methyl-hydroxyphosphoryl]methyl-hydroxyphosphoryl]methyl]phosphinic acid (CID 134486753) is [(2R,3S,4R,5S)-3,4-dihydroxy-5-(4-methoxyphenoxy)oxolan-2-yl]methoxy-[[[[[(2R,3S,4R,5S)-5-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methyl-hydroxyphosphoryl]methyl-hydroxyphosphoryl]methyl]phosphinic acid.

What is the SMILES notation for [(2R,3S,4R,5S)-3,4-dihydroxy-5-(4-methoxyphenoxy)oxolan-2-yl]methoxy-[[[[[(2R,3S,4R,5S)-5-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methyl-hydroxyphosphoryl]methyl-hydroxyphosphoryl]methyl]phosphinic acid?

The canonical SMILES for [(2R,3S,4R,5S)-3,4-dihydroxy-5-(4-methoxyphenoxy)oxolan-2-yl]methoxy-[[[[[(2R,3S,4R,5S)-5-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methyl-hydroxyphosphoryl]methyl-hydroxyphosphoryl]methyl]phosphinic acid is COc1ccc(O[C@@H]2O[C@H](COP(=O)(O)CP(=O)(O)CP(=O)(O)CP(=O)(O)OC[C@H]3O[C@@H](c4c[nH]c(=O)[nH]c4=O)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)cc1.

What is the InChIKey of [(2R,3S,4R,5S)-3,4-dihydroxy-5-(4-methoxyphenoxy)oxolan-2-yl]methoxy-[[[[[(2R,3S,4R,5S)-5-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methyl-hydroxyphosphoryl]methyl-hydroxyphosphoryl]methyl]phosphinic acid?

The InChIKey is DYEWJFIUZBXRLV-OGRYDBARSA-N. The full InChI is InChI=1S/C24H36N2O20P4/c1-41-12-2-4-13(5-3-12)44-23-20(30)18(28)16(46-23)8-43-50(39,40)11-48(35,36)9-47(33,34)10-49(37,38)42-7-15-17(27)19(29)21(45-15)14-6-25-24(32)26-22(14)31/h2-6,15-21,23,27-30H,7-11H2,1H3,(H,33,34)(H,35,36)(H,37,38)(H,39,40)(H2,25,26,31,32)/t15-,16-,17-,18-,19-,20-,21+,23-/m1/s1.

What are the key properties of [(2R,3S,4R,5S)-3,4-dihydroxy-5-(4-methoxyphenoxy)oxolan-2-yl]methoxy-[[[[[(2R,3S,4R,5S)-5-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methyl-hydroxyphosphoryl]methyl-hydroxyphosphoryl]methyl]phosphinic acid?

[(2R,3S,4R,5S)-3,4-dihydroxy-5-(4-methoxyphenoxy)oxolan-2-yl]methoxy-[[[[[(2R,3S,4R,5S)-5-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methyl-hydroxyphosphoryl]methyl-hydroxyphosphoryl]methyl]phosphinic acid has a molecular weight of 796.44 g/mol, XLogP of -1.42, 16 rotatable bonds, 10 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3S,4R,5S)-3,4-dihydroxy-5-(4-methoxyphenoxy)oxolan-2-yl]methoxy-[[[[[(2R,3S,4R,5S)-5-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methyl-hydroxyphosphoryl]methyl-hydroxyphosphoryl]methyl]phosphinic acid is sourced from PubChem (CID 134486753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).