[(2R,4S,5R)-4-acetyloxy-5-[2,4-dioxo-3-(2-phenylethyl)pyrimidin-1-yl]-2-ethyloxolan-3-yl] acetate;[(2R,4S,5R)-4-acetyloxy-5-(2,4-dioxopyrimidin-1-yl)-2-ethyloxolan-3-yl] acetate;azane;2-bromoethylbenzene;1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-(2-phenylethyl)pyrimidine-2,4-dione;methanol;yttrium

C62H80BrN7O21Y — CID 165063704

About [(2R,4S,5R)-4-acetyloxy-5-[2,4-dioxo-3-(2-phenylethyl)pyrimidin-1-yl]-2-ethyloxolan-3-yl] acetate;[(2R,4S,5R)-4-acetyloxy-5-(2,4-dioxopyrimidin-1-yl)-2-ethyloxolan-3-yl] acetate;azane;2-bromoethylbenzene;1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-(2-phenylethyl)pyrimidine-2,4-dione;methanol;yttrium

[(2R,4S,5R)-4-acetyloxy-5-[2,4-dioxo-3-(2-phenylethyl)pyrimidin-1-yl]-2-ethyloxolan-3-yl] acetate;[(2R,4S,5R)-4-acetyloxy-5-(2,4-dioxopyrimidin-1-yl)-2-ethyloxolan-3-yl] acetate;azane;2-bromoethylbenzene;1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-(2-phenylethyl)pyrimidine-2,4-dione;methanol;yttrium (PubChem CID 165063704) has the molecular formula C62H80BrN7O21Y and a molecular weight of 1428.16 g/mol. Its IUPAC name is [(2R,4S,5R)-4-acetyloxy-5-[2,4-dioxo-3-(2-phenylethyl)pyrimidin-1-yl]-2-ethyloxolan-3-yl] acetate;[(2R,4S,5R)-4-acetyloxy-5-(2,4-dioxopyrimidin-1-yl)-2-ethyloxolan-3-yl] acetate;azane;2-bromoethylbenzene;1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-(2-phenylethyl)pyrimidine-2,4-dione;methanol;yttrium.

Molecular Properties

• Compound Name: [(2R,4S,5R)-4-acetyloxy-5-[2,4-dioxo-3-(2-phenylethyl)pyrimidin-1-yl]-2-ethyloxolan-3-yl] acetate;[(2R,4S,5R)-4-acetyloxy-5-(2,4-dioxopyrimidin-1-yl)-2-ethyloxolan-3-yl] acetate;azane;2-bromoethylbenzene;1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-(2-phenylethyl)pyrimidine-2,4-dione;methanol;yttrium
• PubChem CID: 165063704
• Molecular Formula: C62H80BrN7O21Y
• Molecular Weight: 1428.16 g/mol
• Exact Mass: 1426.36
• IUPAC Name: [(2R,4S,5R)-4-acetyloxy-5-[2,4-dioxo-3-(2-phenylethyl)pyrimidin-1-yl]-2-ethyloxolan-3-yl] acetate;[(2R,4S,5R)-4-acetyloxy-5-(2,4-dioxopyrimidin-1-yl)-2-ethyloxolan-3-yl] acetate;azane;2-bromoethylbenzene;1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-(2-phenylethyl)pyrimidine-2,4-dione;methanol;yttrium
• SMILES: BrCCc1ccccc1.CC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@@H](OC(C)=O)C1OC(C)=O.CC[C@H]1O[C@@H](n2ccc(=O)n(CCc3ccccc3)c2=O)[C@@H](OC(C)=O)C1OC(C)=O.CO.N.O=c1ccn([C@@H]2O[C@H](CO)C(O)[C@@H]2O)c(=O)n1CCc1ccccc1.[Y]
• InChI: InChI=1S/C22H26N2O7.C17H20N2O6.C14H18N2O7.C8H9Br.CH4O.H3N.Y/c1-4-17-19(29-14(2)25)20(30-15(3)26)21(31-17)24-13-11-18(27)23(22(24)28)12-10-16-8-6-5-7-9-16;20-10-12-14(22)15(23)16(25-12)19-9-7-13(21)18(17(19)24)8-6-11-4-2-1-3-5-11;1-4-9-11(21-7(2)17)12(22-8(3)18)13(23-9)16-6-5-10(19)15-14(16)20;9-7-6-8-4-2-1-3-5-8;1-2;;/h5-9,11,13,17,19-21H,4,10,12H2,1-3H3;1-5,7,9,12,14-16,20,22-23H,6,8,10H2;5-6,9,11-13H,4H2,1-3H3,(H,15,19,20);1-5H,6-7H2;2H,1H3;1H3;/t17-,19?,20+,21-;12-,14?,15+,16-;9-,11?,12+,13-;;;;/m111..../s1
• InChIKey: PBGCEYYJXTUMDY-FAJXNERWSA-N
• XLogP: 2.39
• TPSA: 391.67 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 27
• Rotatable Bonds: 18
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1428.16
LogP ≤ 5	2.39
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2R,4S,5R)-4-acetyloxy-5-[2,4-dioxo-3-(2-phenylethyl)pyrimidin-1-yl]-2-ethyloxolan-3-yl] acetate;[(2R,4S,5R)-4-acetyloxy-5-(2,4-dioxopyrimidin-1-yl)-2-ethyloxolan-3-yl] acetate;azane;2-bromoethylbenzene;1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-(2-phenylethyl)pyrimidine-2,4-dione;methanol;yttrium?

The IUPAC name of [(2R,4S,5R)-4-acetyloxy-5-[2,4-dioxo-3-(2-phenylethyl)pyrimidin-1-yl]-2-ethyloxolan-3-yl] acetate;[(2R,4S,5R)-4-acetyloxy-5-(2,4-dioxopyrimidin-1-yl)-2-ethyloxolan-3-yl] acetate;azane;2-bromoethylbenzene;1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-(2-phenylethyl)pyrimidine-2,4-dione;methanol;yttrium (CID 165063704) is [(2R,4S,5R)-4-acetyloxy-5-[2,4-dioxo-3-(2-phenylethyl)pyrimidin-1-yl]-2-ethyloxolan-3-yl] acetate;[(2R,4S,5R)-4-acetyloxy-5-(2,4-dioxopyrimidin-1-yl)-2-ethyloxolan-3-yl] acetate;azane;2-bromoethylbenzene;1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-(2-phenylethyl)pyrimidine-2,4-dione;methanol;yttrium.

What is the SMILES notation for [(2R,4S,5R)-4-acetyloxy-5-[2,4-dioxo-3-(2-phenylethyl)pyrimidin-1-yl]-2-ethyloxolan-3-yl] acetate;[(2R,4S,5R)-4-acetyloxy-5-(2,4-dioxopyrimidin-1-yl)-2-ethyloxolan-3-yl] acetate;azane;2-bromoethylbenzene;1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-(2-phenylethyl)pyrimidine-2,4-dione;methanol;yttrium?

The canonical SMILES for [(2R,4S,5R)-4-acetyloxy-5-[2,4-dioxo-3-(2-phenylethyl)pyrimidin-1-yl]-2-ethyloxolan-3-yl] acetate;[(2R,4S,5R)-4-acetyloxy-5-(2,4-dioxopyrimidin-1-yl)-2-ethyloxolan-3-yl] acetate;azane;2-bromoethylbenzene;1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-(2-phenylethyl)pyrimidine-2,4-dione;methanol;yttrium is BrCCc1ccccc1.CC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@@H](OC(C)=O)C1OC(C)=O.CC[C@H]1O[C@@H](n2ccc(=O)n(CCc3ccccc3)c2=O)[C@@H](OC(C)=O)C1OC(C)=O.CO.N.O=c1ccn([C@@H]2O[C@H](CO)C(O)[C@@H]2O)c(=O)n1CCc1ccccc1.[Y].

What is the InChIKey of [(2R,4S,5R)-4-acetyloxy-5-[2,4-dioxo-3-(2-phenylethyl)pyrimidin-1-yl]-2-ethyloxolan-3-yl] acetate;[(2R,4S,5R)-4-acetyloxy-5-(2,4-dioxopyrimidin-1-yl)-2-ethyloxolan-3-yl] acetate;azane;2-bromoethylbenzene;1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-(2-phenylethyl)pyrimidine-2,4-dione;methanol;yttrium?

The InChIKey is PBGCEYYJXTUMDY-FAJXNERWSA-N. The full InChI is InChI=1S/C22H26N2O7.C17H20N2O6.C14H18N2O7.C8H9Br.CH4O.H3N.Y/c1-4-17-19(29-14(2)25)20(30-15(3)26)21(31-17)24-13-11-18(27)23(22(24)28)12-10-16-8-6-5-7-9-16;20-10-12-14(22)15(23)16(25-12)19-9-7-13(21)18(17(19)24)8-6-11-4-2-1-3-5-11;1-4-9-11(21-7(2)17)12(22-8(3)18)13(23-9)16-6-5-10(19)15-14(16)20;9-7-6-8-4-2-1-3-5-8;1-2;;/h5-9,11,13,17,19-21H,4,10,12H2,1-3H3;1-5,7,9,12,14-16,20,22-23H,6,8,10H2;5-6,9,11-13H,4H2,1-3H3,(H,15,19,20);1-5H,6-7H2;2H,1H3;1H3;/t17-,19?,20+,21-;12-,14?,15+,16-;9-,11?,12+,13-;;;;/m111..../s1.

What are the key properties of [(2R,4S,5R)-4-acetyloxy-5-[2,4-dioxo-3-(2-phenylethyl)pyrimidin-1-yl]-2-ethyloxolan-3-yl] acetate;[(2R,4S,5R)-4-acetyloxy-5-(2,4-dioxopyrimidin-1-yl)-2-ethyloxolan-3-yl] acetate;azane;2-bromoethylbenzene;1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-(2-phenylethyl)pyrimidine-2,4-dione;methanol;yttrium?

[(2R,4S,5R)-4-acetyloxy-5-[2,4-dioxo-3-(2-phenylethyl)pyrimidin-1-yl]-2-ethyloxolan-3-yl] acetate;[(2R,4S,5R)-4-acetyloxy-5-(2,4-dioxopyrimidin-1-yl)-2-ethyloxolan-3-yl] acetate;azane;2-bromoethylbenzene;1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-(2-phenylethyl)pyrimidine-2,4-dione;methanol;yttrium has a molecular weight of 1428.16 g/mol, XLogP of 2.39, 18 rotatable bonds, 6 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,4S,5R)-4-acetyloxy-5-[2,4-dioxo-3-(2-phenylethyl)pyrimidin-1-yl]-2-ethyloxolan-3-yl] acetate;[(2R,4S,5R)-4-acetyloxy-5-(2,4-dioxopyrimidin-1-yl)-2-ethyloxolan-3-yl] acetate;azane;2-bromoethylbenzene;1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-(2-phenylethyl)pyrimidine-2,4-dione;methanol;yttrium is sourced from PubChem (CID 165063704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).