[2-[1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-2-oxoethyl] acetate;1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-methyl-2-methylidenepyrimidin-4-one;1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-(3-oxobutanoyl)pyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3-ethoxy-4-hydroxyoxolan-2-yl]-2-methylidenepyrimidin-4-one;1-[(2R,3R,4R,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-hydroxy-3-methoxyoxolan-2-yl]-3-methylpyrimidine-2,4-dione

C80H127N10O28P5 — CID 158056657

About [2-[1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-2-oxoethyl] acetate;1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-methyl-2-methylidenepyrimidin-4-one;1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-(3-oxobutanoyl)pyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3-ethoxy-4-hydroxyoxolan-2-yl]-2-methylidenepyrimidin-4-one;1-[(2R,3R,4R,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-hydroxy-3-methoxyoxolan-2-yl]-3-methylpyrimidine-2,4-dione

[2-[1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-2-oxoethyl] acetate;1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-methyl-2-methylidenepyrimidin-4-one;1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-(3-oxobutanoyl)pyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3-ethoxy-4-hydroxyoxolan-2-yl]-2-methylidenepyrimidin-4-one;1-[(2R,3R,4R,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-hydroxy-3-methoxyoxolan-2-yl]-3-methylpyrimidine-2,4-dione (PubChem CID 158056657) has the molecular formula C80H127N10O28P5 and a molecular weight of 1831.81 g/mol. Its IUPAC name is [2-[1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-2-oxoethyl] acetate;1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-methyl-2-methylidenepyrimidin-4-one;1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-(3-oxobutanoyl)pyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3-ethoxy-4-hydroxyoxolan-2-yl]-2-methylidenepyrimidin-4-one;1-[(2R,3R,4R,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-hydroxy-3-methoxyoxolan-2-yl]-3-methylpyrimidine-2,4-dione.

Molecular Properties

• Compound Name: [2-[1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-2-oxoethyl] acetate;1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-methyl-2-methylidenepyrimidin-4-one;1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-(3-oxobutanoyl)pyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3-ethoxy-4-hydroxyoxolan-2-yl]-2-methylidenepyrimidin-4-one;1-[(2R,3R,4R,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-hydroxy-3-methoxyoxolan-2-yl]-3-methylpyrimidine-2,4-dione
• PubChem CID: 158056657
• Molecular Formula: C80H127N10O28P5
• Molecular Weight: 1831.81 g/mol
• Exact Mass: 1830.75
• IUPAC Name: [2-[1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-2-oxoethyl] acetate;1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-methyl-2-methylidenepyrimidin-4-one;1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-(3-oxobutanoyl)pyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3-ethoxy-4-hydroxyoxolan-2-yl]-2-methylidenepyrimidin-4-one;1-[(2R,3R,4R,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-hydroxy-3-methoxyoxolan-2-yl]-3-methylpyrimidine-2,4-dione
• SMILES: C=C1NC(=O)C(C)=CN1[C@@H]1O[C@H](CCP(=C)(C)C)[C@@H](O)[C@H]1O.C=C1NC(=O)C=CN1[C@@H]1O[C@H](CCP(=C)(C)C)[C@@H](O)[C@H]1OCC.C=P(C)(C)CC[C@H]1O[C@@H](n2cc(C(=O)CC(C)=O)c(=O)[nH]c2=O)[C@H](O)[C@@H]1O.C=P(C)(C)CC[C@H]1O[C@@H](n2cc(C(=O)COC(C)=O)c(=O)[nH]c2=O)[C@H](O)[C@@H]1O.C=P(C)(C)CC[C@H]1O[C@@H](n2ccc(=O)n(C)c2=O)[C@H](OC)[C@@H]1O
• InChI: InChI=1S/C17H25N2O8P.C17H25N2O7P.C16H27N2O4P.C15H25N2O5P.C15H25N2O4P/c1-9(20)26-8-11(21)10-7-19(17(25)18-15(10)24)16-14(23)13(22)12(27-16)5-6-28(2,3)4;1-9(20)7-11(21)10-8-19(17(25)18-15(10)24)16-14(23)13(22)12(26-16)5-6-27(2,3)4;1-6-21-15-14(20)12(8-10-23(3,4)5)22-16(15)18-9-7-13(19)17-11(18)2;1-16-11(18)6-8-17(15(16)20)14-13(21-2)12(19)10(22-14)7-9-23(3,4)5;1-9-8-17(10(2)16-14(9)20)15-13(19)12(18)11(21-15)6-7-22(3,4)5/h7,12-14,16,22-23H,2,5-6,8H2,1,3-4H3,(H,18,24,25);8,12-14,16,22-23H,2,5-7H2,1,3-4H3,(H,18,24,25);7,9,12,14-16,20H,2-3,6,8,10H2,1,4-5H3,(H,17,19);6,8,10,12-14,19H,3,7,9H2,1-2,4-5H3;8,11-13,15,18-19H,2-3,6-7H2,1,4-5H3,(H,16,20)/t2*12-,13-,14-,16-;12-,14-,15-,16-;10-,12-,13-,14-;11-,12-,13-,15-/m11111/s1
• InChIKey: FKDDRMAGTLJASL-DZLNZXMTSA-N
• XLogP: -0.33
• TPSA: 522.36 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 34
• Rotatable Bonds: 29
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1831.81
LogP ≤ 5	-0.33
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2-[1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-2-oxoethyl] acetate;1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-methyl-2-methylidenepyrimidin-4-one;1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-(3-oxobutanoyl)pyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3-ethoxy-4-hydroxyoxolan-2-yl]-2-methylidenepyrimidin-4-one;1-[(2R,3R,4R,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-hydroxy-3-methoxyoxolan-2-yl]-3-methylpyrimidine-2,4-dione?

The IUPAC name of [2-[1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-2-oxoethyl] acetate;1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-methyl-2-methylidenepyrimidin-4-one;1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-(3-oxobutanoyl)pyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3-ethoxy-4-hydroxyoxolan-2-yl]-2-methylidenepyrimidin-4-one;1-[(2R,3R,4R,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-hydroxy-3-methoxyoxolan-2-yl]-3-methylpyrimidine-2,4-dione (CID 158056657) is [2-[1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-2-oxoethyl] acetate;1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-methyl-2-methylidenepyrimidin-4-one;1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-(3-oxobutanoyl)pyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3-ethoxy-4-hydroxyoxolan-2-yl]-2-methylidenepyrimidin-4-one;1-[(2R,3R,4R,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-hydroxy-3-methoxyoxolan-2-yl]-3-methylpyrimidine-2,4-dione.

What is the SMILES notation for [2-[1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-2-oxoethyl] acetate;1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-methyl-2-methylidenepyrimidin-4-one;1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-(3-oxobutanoyl)pyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3-ethoxy-4-hydroxyoxolan-2-yl]-2-methylidenepyrimidin-4-one;1-[(2R,3R,4R,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-hydroxy-3-methoxyoxolan-2-yl]-3-methylpyrimidine-2,4-dione?

The canonical SMILES for [2-[1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-2-oxoethyl] acetate;1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-methyl-2-methylidenepyrimidin-4-one;1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-(3-oxobutanoyl)pyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3-ethoxy-4-hydroxyoxolan-2-yl]-2-methylidenepyrimidin-4-one;1-[(2R,3R,4R,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-hydroxy-3-methoxyoxolan-2-yl]-3-methylpyrimidine-2,4-dione is C=C1NC(=O)C(C)=CN1[C@@H]1O[C@H](CCP(=C)(C)C)[C@@H](O)[C@H]1O.C=C1NC(=O)C=CN1[C@@H]1O[C@H](CCP(=C)(C)C)[C@@H](O)[C@H]1OCC.C=P(C)(C)CC[C@H]1O[C@@H](n2cc(C(=O)CC(C)=O)c(=O)[nH]c2=O)[C@H](O)[C@@H]1O.C=P(C)(C)CC[C@H]1O[C@@H](n2cc(C(=O)COC(C)=O)c(=O)[nH]c2=O)[C@H](O)[C@@H]1O.C=P(C)(C)CC[C@H]1O[C@@H](n2ccc(=O)n(C)c2=O)[C@H](OC)[C@@H]1O.

What is the InChIKey of [2-[1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-2-oxoethyl] acetate;1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-methyl-2-methylidenepyrimidin-4-one;1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-(3-oxobutanoyl)pyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3-ethoxy-4-hydroxyoxolan-2-yl]-2-methylidenepyrimidin-4-one;1-[(2R,3R,4R,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-hydroxy-3-methoxyoxolan-2-yl]-3-methylpyrimidine-2,4-dione?

The InChIKey is FKDDRMAGTLJASL-DZLNZXMTSA-N. The full InChI is InChI=1S/C17H25N2O8P.C17H25N2O7P.C16H27N2O4P.C15H25N2O5P.C15H25N2O4P/c1-9(20)26-8-11(21)10-7-19(17(25)18-15(10)24)16-14(23)13(22)12(27-16)5-6-28(2,3)4;1-9(20)7-11(21)10-8-19(17(25)18-15(10)24)16-14(23)13(22)12(26-16)5-6-27(2,3)4;1-6-21-15-14(20)12(8-10-23(3,4)5)22-16(15)18-9-7-13(19)17-11(18)2;1-16-11(18)6-8-17(15(16)20)14-13(21-2)12(19)10(22-14)7-9-23(3,4)5;1-9-8-17(10(2)16-14(9)20)15-13(19)12(18)11(21-15)6-7-22(3,4)5/h7,12-14,16,22-23H,2,5-6,8H2,1,3-4H3,(H,18,24,25);8,12-14,16,22-23H,2,5-7H2,1,3-4H3,(H,18,24,25);7,9,12,14-16,20H,2-3,6,8,10H2,1,4-5H3,(H,17,19);6,8,10,12-14,19H,3,7,9H2,1-2,4-5H3;8,11-13,15,18-19H,2-3,6-7H2,1,4-5H3,(H,16,20)/t2*12-,13-,14-,16-;12-,14-,15-,16-;10-,12-,13-,14-;11-,12-,13-,15-/m11111/s1.

What are the key properties of [2-[1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-2-oxoethyl] acetate;1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-methyl-2-methylidenepyrimidin-4-one;1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-(3-oxobutanoyl)pyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3-ethoxy-4-hydroxyoxolan-2-yl]-2-methylidenepyrimidin-4-one;1-[(2R,3R,4R,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-hydroxy-3-methoxyoxolan-2-yl]-3-methylpyrimidine-2,4-dione?

[2-[1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-2-oxoethyl] acetate;1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-methyl-2-methylidenepyrimidin-4-one;1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-(3-oxobutanoyl)pyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3-ethoxy-4-hydroxyoxolan-2-yl]-2-methylidenepyrimidin-4-one;1-[(2R,3R,4R,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-hydroxy-3-methoxyoxolan-2-yl]-3-methylpyrimidine-2,4-dione has a molecular weight of 1831.81 g/mol, XLogP of -0.33, 29 rotatable bonds, 12 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-2-oxoethyl] acetate;1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-methyl-2-methylidenepyrimidin-4-one;1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-(3-oxobutanoyl)pyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3-ethoxy-4-hydroxyoxolan-2-yl]-2-methylidenepyrimidin-4-one;1-[(2R,3R,4R,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-hydroxy-3-methoxyoxolan-2-yl]-3-methylpyrimidine-2,4-dione is sourced from PubChem (CID 158056657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).