dihydroxyphosphanyl [hydroxy-[[(5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphanyl] hydrogen phosphate

C10H17N2O11P3 — CID 174003642

About dihydroxyphosphanyl [hydroxy-[[(5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphanyl] hydrogen phosphate

dihydroxyphosphanyl [hydroxy-[[(5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphanyl] hydrogen phosphate (PubChem CID 174003642) has the molecular formula C10H17N2O11P3 and a molecular weight of 434.17 g/mol. Its IUPAC name is dihydroxyphosphanyl [hydroxy-[[(5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphanyl] hydrogen phosphate.

Molecular Properties

• Compound Name: dihydroxyphosphanyl [hydroxy-[[(5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphanyl] hydrogen phosphate
• PubChem CID: 174003642
• Molecular Formula: C10H17N2O11P3
• Molecular Weight: 434.17 g/mol
• Exact Mass: 434.00
• IUPAC Name: dihydroxyphosphanyl [hydroxy-[[(5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphanyl] hydrogen phosphate
• SMILES: Cc1cn([C@H]2CCC(COP(O)OP(=O)(O)OP(O)O)O2)c(=O)[nH]c1=O
• InChI: InChI=1S/C10H17N2O11P3/c1-6-4-12(10(14)11-9(6)13)8-3-2-7(21-8)5-20-25(17)23-26(18,19)22-24(15)16/h4,7-8,15-17H,2-3,5H2,1H3,(H,18,19)(H,11,13,14)/t7?,8-,25?/m1/s1
• InChIKey: CMITZBYDRWUKTP-HKTQTVGNSA-N
• XLogP: 0.10
• TPSA: 189.77 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	434.17
LogP ≤ 5	0.10
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of dihydroxyphosphanyl [hydroxy-[[(5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphanyl] hydrogen phosphate?

The IUPAC name of dihydroxyphosphanyl [hydroxy-[[(5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphanyl] hydrogen phosphate (CID 174003642) is dihydroxyphosphanyl [hydroxy-[[(5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphanyl] hydrogen phosphate.

What is the SMILES notation for dihydroxyphosphanyl [hydroxy-[[(5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphanyl] hydrogen phosphate?

The canonical SMILES for dihydroxyphosphanyl [hydroxy-[[(5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphanyl] hydrogen phosphate is Cc1cn([C@H]2CCC(COP(O)OP(=O)(O)OP(O)O)O2)c(=O)[nH]c1=O.

What is the InChIKey of dihydroxyphosphanyl [hydroxy-[[(5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphanyl] hydrogen phosphate?

The InChIKey is CMITZBYDRWUKTP-HKTQTVGNSA-N. The full InChI is InChI=1S/C10H17N2O11P3/c1-6-4-12(10(14)11-9(6)13)8-3-2-7(21-8)5-20-25(17)23-26(18,19)22-24(15)16/h4,7-8,15-17H,2-3,5H2,1H3,(H,18,19)(H,11,13,14)/t7?,8-,25?/m1/s1.

What are the key properties of dihydroxyphosphanyl [hydroxy-[[(5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphanyl] hydrogen phosphate?

dihydroxyphosphanyl [hydroxy-[[(5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphanyl] hydrogen phosphate has a molecular weight of 434.17 g/mol, XLogP of 0.10, 8 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for dihydroxyphosphanyl [hydroxy-[[(5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphanyl] hydrogen phosphate is sourced from PubChem (CID 174003642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).