[(2R,3R)-2-[[hydroxy-[(2R,3R,5R)-2-[[hydroxy(methoxy)phosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl] methyl hydrogen phosphate

C17H29N2O16P3 — CID 160690074

About [(2R,3R)-2-[[hydroxy-[(2R,3R,5R)-2-[[hydroxy(methoxy)phosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl] methyl hydrogen phosphate

[(2R,3R)-2-[[hydroxy-[(2R,3R,5R)-2-[[hydroxy(methoxy)phosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl] methyl hydrogen phosphate (PubChem CID 160690074) has the molecular formula C17H29N2O16P3 and a molecular weight of 610.34 g/mol. Its IUPAC name is [(2R,3R)-2-[[hydroxy-[(2R,3R,5R)-2-[[hydroxy(methoxy)phosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl] methyl hydrogen phosphate.

Molecular Properties

• Compound Name: [(2R,3R)-2-[[hydroxy-[(2R,3R,5R)-2-[[hydroxy(methoxy)phosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl] methyl hydrogen phosphate
• PubChem CID: 160690074
• Molecular Formula: C17H29N2O16P3
• Molecular Weight: 610.34 g/mol
• Exact Mass: 610.07
• IUPAC Name: [(2R,3R)-2-[[hydroxy-[(2R,3R,5R)-2-[[hydroxy(methoxy)phosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl] methyl hydrogen phosphate
• SMILES: COP(=O)(O)OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@H]1OP(=O)(O)OC[C@H]1OCC[C@H]1OP(=O)(O)OC
• InChI: InChI=1S/C17H29N2O16P3/c1-10-7-19(17(21)18-16(10)20)15-6-12(14(33-15)9-31-36(22,23)28-2)35-38(26,27)32-8-13-11(4-5-30-13)34-37(24,25)29-3/h7,11-15H,4-6,8-9H2,1-3H3,(H,22,23)(H,24,25)(H,26,27)(H,18,20,21)/t11-,12-,13-,14-,15-/m1/s1
• InChIKey: RPHGCUHXOZNGTI-KJWHEZOQSA-N
• XLogP: 0.32
• TPSA: 240.60 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 13
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	610.34
LogP ≤ 5	0.32
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-2-[[hydroxy-[(2R,3R,5R)-2-[[hydroxy(methoxy)phosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl] methyl hydrogen phosphate?

The IUPAC name of [(2R,3R)-2-[[hydroxy-[(2R,3R,5R)-2-[[hydroxy(methoxy)phosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl] methyl hydrogen phosphate (CID 160690074) is [(2R,3R)-2-[[hydroxy-[(2R,3R,5R)-2-[[hydroxy(methoxy)phosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl] methyl hydrogen phosphate.

What is the SMILES notation for [(2R,3R)-2-[[hydroxy-[(2R,3R,5R)-2-[[hydroxy(methoxy)phosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl] methyl hydrogen phosphate?

The canonical SMILES for [(2R,3R)-2-[[hydroxy-[(2R,3R,5R)-2-[[hydroxy(methoxy)phosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl] methyl hydrogen phosphate is COP(=O)(O)OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@H]1OP(=O)(O)OC[C@H]1OCC[C@H]1OP(=O)(O)OC.

What is the InChIKey of [(2R,3R)-2-[[hydroxy-[(2R,3R,5R)-2-[[hydroxy(methoxy)phosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl] methyl hydrogen phosphate?

The InChIKey is RPHGCUHXOZNGTI-KJWHEZOQSA-N. The full InChI is InChI=1S/C17H29N2O16P3/c1-10-7-19(17(21)18-16(10)20)15-6-12(14(33-15)9-31-36(22,23)28-2)35-38(26,27)32-8-13-11(4-5-30-13)34-37(24,25)29-3/h7,11-15H,4-6,8-9H2,1-3H3,(H,22,23)(H,24,25)(H,26,27)(H,18,20,21)/t11-,12-,13-,14-,15-/m1/s1.

What are the key properties of [(2R,3R)-2-[[hydroxy-[(2R,3R,5R)-2-[[hydroxy(methoxy)phosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl] methyl hydrogen phosphate?

[(2R,3R)-2-[[hydroxy-[(2R,3R,5R)-2-[[hydroxy(methoxy)phosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl] methyl hydrogen phosphate has a molecular weight of 610.34 g/mol, XLogP of 0.32, 13 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3R)-2-[[hydroxy-[(2R,3R,5R)-2-[[hydroxy(methoxy)phosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl] methyl hydrogen phosphate is sourced from PubChem (CID 160690074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).