[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl [(2R,3S,5R)-2-(hydroxymethyl)-5-[2-oxo-4-(phosphonatoamino)pyrimidin-1-yl]oxolan-3-yl] phosphate

C19H24N5O14P2-3 — CID 23248221

About [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl [(2R,3S,5R)-2-(hydroxymethyl)-5-[2-oxo-4-(phosphonatoamino)pyrimidin-1-yl]oxolan-3-yl] phosphate

[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl [(2R,3S,5R)-2-(hydroxymethyl)-5-[2-oxo-4-(phosphonatoamino)pyrimidin-1-yl]oxolan-3-yl] phosphate (PubChem CID 23248221) has the molecular formula C19H24N5O14P2-3 and a molecular weight of 608.37 g/mol. Its IUPAC name is [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl [(2R,3S,5R)-2-(hydroxymethyl)-5-[2-oxo-4-(phosphonatoamino)pyrimidin-1-yl]oxolan-3-yl] phosphate.

Molecular Properties

• Compound Name: [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl [(2R,3S,5R)-2-(hydroxymethyl)-5-[2-oxo-4-(phosphonatoamino)pyrimidin-1-yl]oxolan-3-yl] phosphate
• PubChem CID: 23248221
• Molecular Formula: C19H24N5O14P2-3
• Molecular Weight: 608.37 g/mol
• Exact Mass: 608.08
• IUPAC Name: [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl [(2R,3S,5R)-2-(hydroxymethyl)-5-[2-oxo-4-(phosphonatoamino)pyrimidin-1-yl]oxolan-3-yl] phosphate
• SMILES: Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)([O-])O[C@H]3C[C@H](n4ccc(NP(=O)([O-])[O-])nc4=O)O[C@@H]3CO)O2)c(=O)[nH]c1=O
• InChI: InChI=1S/C19H27N5O14P2/c1-9-6-24(19(29)21-17(9)27)15-4-10(26)13(37-15)8-35-40(33,34)38-11-5-16(36-12(11)7-25)23-3-2-14(20-18(23)28)22-39(30,31)32/h2-3,6,10-13,15-16,25-26H,4-5,7-8H2,1H3,(H,33,34)(H,21,27,29)(H3,20,22,28,30,31,32)/p-3/t10-,11-,12+,13+,15+,16+/m0/s1
• InChIKey: XRASUDOSWSFHBM-SWTKMSQOSA-K
• XLogP: -3.86
• TPSA: 282.48 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 17
• Rotatable Bonds: 10
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	608.37
LogP ≤ 5	-3.86
H-Bond Donors ≤ 5	4
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,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl [(2R,3S,5R)-2-(hydroxymethyl)-5-[2-oxo-4-(phosphonatoamino)pyrimidin-1-yl]oxolan-3-yl] phosphate?

The IUPAC name of [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl [(2R,3S,5R)-2-(hydroxymethyl)-5-[2-oxo-4-(phosphonatoamino)pyrimidin-1-yl]oxolan-3-yl] phosphate (CID 23248221) is [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl [(2R,3S,5R)-2-(hydroxymethyl)-5-[2-oxo-4-(phosphonatoamino)pyrimidin-1-yl]oxolan-3-yl] phosphate.

What is the SMILES notation for [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl [(2R,3S,5R)-2-(hydroxymethyl)-5-[2-oxo-4-(phosphonatoamino)pyrimidin-1-yl]oxolan-3-yl] phosphate?

The canonical SMILES for [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl [(2R,3S,5R)-2-(hydroxymethyl)-5-[2-oxo-4-(phosphonatoamino)pyrimidin-1-yl]oxolan-3-yl] phosphate is Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)([O-])O[C@H]3C[C@H](n4ccc(NP(=O)([O-])[O-])nc4=O)O[C@@H]3CO)O2)c(=O)[nH]c1=O.

What is the InChIKey of [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl [(2R,3S,5R)-2-(hydroxymethyl)-5-[2-oxo-4-(phosphonatoamino)pyrimidin-1-yl]oxolan-3-yl] phosphate?

The InChIKey is XRASUDOSWSFHBM-SWTKMSQOSA-K. The full InChI is InChI=1S/C19H27N5O14P2/c1-9-6-24(19(29)21-17(9)27)15-4-10(26)13(37-15)8-35-40(33,34)38-11-5-16(36-12(11)7-25)23-3-2-14(20-18(23)28)22-39(30,31)32/h2-3,6,10-13,15-16,25-26H,4-5,7-8H2,1H3,(H,33,34)(H,21,27,29)(H3,20,22,28,30,31,32)/p-3/t10-,11-,12+,13+,15+,16+/m0/s1.

What are the key properties of [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl [(2R,3S,5R)-2-(hydroxymethyl)-5-[2-oxo-4-(phosphonatoamino)pyrimidin-1-yl]oxolan-3-yl] phosphate?

[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl [(2R,3S,5R)-2-(hydroxymethyl)-5-[2-oxo-4-(phosphonatoamino)pyrimidin-1-yl]oxolan-3-yl] phosphate has a molecular weight of 608.37 g/mol, XLogP of -3.86, 10 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl [(2R,3S,5R)-2-(hydroxymethyl)-5-[2-oxo-4-(phosphonatoamino)pyrimidin-1-yl]oxolan-3-yl] phosphate is sourced from PubChem (CID 23248221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).