[(2R,3R,4R,5R)-3,4-diacetyloxy-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl] 3-hydroxypropanoate

C15H18N2O10 — CID 154289578

About [(2R,3R,4R,5R)-3,4-diacetyloxy-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl] 3-hydroxypropanoate

[(2R,3R,4R,5R)-3,4-diacetyloxy-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl] 3-hydroxypropanoate (PubChem CID 154289578) has the molecular formula C15H18N2O10 and a molecular weight of 386.31 g/mol. Its IUPAC name is [(2R,3R,4R,5R)-3,4-diacetyloxy-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl] 3-hydroxypropanoate.

Molecular Properties

• Compound Name: [(2R,3R,4R,5R)-3,4-diacetyloxy-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl] 3-hydroxypropanoate
• PubChem CID: 154289578
• Molecular Formula: C15H18N2O10
• Molecular Weight: 386.31 g/mol
• Exact Mass: 386.10
• IUPAC Name: [(2R,3R,4R,5R)-3,4-diacetyloxy-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl] 3-hydroxypropanoate
• SMILES: CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@@H](OC(=O)CCO)O[C@H]1n1ccc(=O)[nH]c1=O
• InChI: InChI=1S/C15H18N2O10/c1-7(19)24-11-12(25-8(2)20)14(26-10(22)4-6-18)27-13(11)17-5-3-9(21)16-15(17)23/h3,5,11-14,18H,4,6H2,1-2H3,(H,16,21,23)/t11-,12-,13-,14+/m1/s1
• InChIKey: PGBRNGXUNWWDKM-SYQHCUMBSA-N
• XLogP: -1.82
• TPSA: 163.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	386.31
LogP ≤ 5	-1.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R,5R)-3,4-diacetyloxy-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl] 3-hydroxypropanoate?

The IUPAC name of [(2R,3R,4R,5R)-3,4-diacetyloxy-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl] 3-hydroxypropanoate (CID 154289578) is [(2R,3R,4R,5R)-3,4-diacetyloxy-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl] 3-hydroxypropanoate.

What is the SMILES notation for [(2R,3R,4R,5R)-3,4-diacetyloxy-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl] 3-hydroxypropanoate?

The canonical SMILES for [(2R,3R,4R,5R)-3,4-diacetyloxy-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl] 3-hydroxypropanoate is CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@@H](OC(=O)CCO)O[C@H]1n1ccc(=O)[nH]c1=O.

What is the InChIKey of [(2R,3R,4R,5R)-3,4-diacetyloxy-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl] 3-hydroxypropanoate?

The InChIKey is PGBRNGXUNWWDKM-SYQHCUMBSA-N. The full InChI is InChI=1S/C15H18N2O10/c1-7(19)24-11-12(25-8(2)20)14(26-10(22)4-6-18)27-13(11)17-5-3-9(21)16-15(17)23/h3,5,11-14,18H,4,6H2,1-2H3,(H,16,21,23)/t11-,12-,13-,14+/m1/s1.

What are the key properties of [(2R,3R,4R,5R)-3,4-diacetyloxy-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl] 3-hydroxypropanoate?

[(2R,3R,4R,5R)-3,4-diacetyloxy-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl] 3-hydroxypropanoate has a molecular weight of 386.31 g/mol, XLogP of -1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3R,4R,5R)-3,4-diacetyloxy-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl] 3-hydroxypropanoate is sourced from PubChem (CID 154289578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).