[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl]methyl [(2R,3S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-((32P)phosphonooxymethyl)oxolan-3-yl] hydrogen phosphate

C19H28N5O18P3 — CID 10771047

About [(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl]methyl [(2R,3S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-((32P)phosphonooxymethyl)oxolan-3-yl] hydrogen phosphate

[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl]methyl [(2R,3S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-((32P)phosphonooxymethyl)oxolan-3-yl] hydrogen phosphate (PubChem CID 10771047) has the molecular formula C19H28N5O18P3 and a molecular weight of 708.37 g/mol. Its IUPAC name is [(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl]methyl [(2R,3S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-((32P)phosphonooxymethyl)oxolan-3-yl] hydrogen phosphate.

Molecular Properties

• Compound Name: [(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl]methyl [(2R,3S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-((32P)phosphonooxymethyl)oxolan-3-yl] hydrogen phosphate
• PubChem CID: 10771047
• Molecular Formula: C19H28N5O18P3
• Molecular Weight: 708.37 g/mol
• Exact Mass: 708.06
• IUPAC Name: [(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl]methyl [(2R,3S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-((32P)phosphonooxymethyl)oxolan-3-yl] hydrogen phosphate
• SMILES: Cc1cn([C@H]2C[C@H](OP(=O)(O)OC[C@H]3O[C@@H](n4ccc(N)nc4=O)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](CO[32P](=O)(O)O)O2)c(=O)[nH]c1=O
• InChI: InChI=1S/C19H28N5O18P3/c1-8-5-24(19(28)22-16(8)26)13-4-9(10(39-13)6-37-43(29,30)31)41-45(35,36)38-7-11-14(25)15(42-44(32,33)34)17(40-11)23-3-2-12(20)21-18(23)27/h2-3,5,9-11,13-15,17,25H,4,6-7H2,1H3,(H,35,36)(H2,20,21,27)(H,22,26,28)(H2,29,30,31)(H2,32,33,34)/t9-,10+,11+,13+,14+,15+,17+/m0/s1/i43+1
• InChIKey: YOXKYIOMMXNTHT-OJYNVHGJSA-N
• XLogP: -2.68
• TPSA: 343.74 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 17
• Rotatable Bonds: 12
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	708.37
LogP ≤ 5	-2.68
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl]methyl [(2R,3S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-((32P)phosphonooxymethyl)oxolan-3-yl] hydrogen phosphate?

The IUPAC name of [(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl]methyl [(2R,3S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-((32P)phosphonooxymethyl)oxolan-3-yl] hydrogen phosphate (CID 10771047) is [(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl]methyl [(2R,3S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-((32P)phosphonooxymethyl)oxolan-3-yl] hydrogen phosphate.

What is the SMILES notation for [(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl]methyl [(2R,3S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-((32P)phosphonooxymethyl)oxolan-3-yl] hydrogen phosphate?

The canonical SMILES for [(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl]methyl [(2R,3S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-((32P)phosphonooxymethyl)oxolan-3-yl] hydrogen phosphate is Cc1cn([C@H]2C[C@H](OP(=O)(O)OC[C@H]3O[C@@H](n4ccc(N)nc4=O)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](CO[32P](=O)(O)O)O2)c(=O)[nH]c1=O.

What is the InChIKey of [(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl]methyl [(2R,3S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-((32P)phosphonooxymethyl)oxolan-3-yl] hydrogen phosphate?

The InChIKey is YOXKYIOMMXNTHT-OJYNVHGJSA-N. The full InChI is InChI=1S/C19H28N5O18P3/c1-8-5-24(19(28)22-16(8)26)13-4-9(10(39-13)6-37-43(29,30)31)41-45(35,36)38-7-11-14(25)15(42-44(32,33)34)17(40-11)23-3-2-12(20)21-18(23)27/h2-3,5,9-11,13-15,17,25H,4,6-7H2,1H3,(H,35,36)(H2,20,21,27)(H,22,26,28)(H2,29,30,31)(H2,32,33,34)/t9-,10+,11+,13+,14+,15+,17+/m0/s1/i43+1.

What are the key properties of [(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl]methyl [(2R,3S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-((32P)phosphonooxymethyl)oxolan-3-yl] hydrogen phosphate?

[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl]methyl [(2R,3S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-((32P)phosphonooxymethyl)oxolan-3-yl] hydrogen phosphate has a molecular weight of 708.37 g/mol, XLogP of -2.68, 12 rotatable bonds, 8 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl]methyl [(2R,3S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-((32P)phosphonooxymethyl)oxolan-3-yl] hydrogen phosphate is sourced from PubChem (CID 10771047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).