5-but-3-enyl-1-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3S,4R,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxy-3-methyloxolan-2-yl]-2-methylidenepyrimidin-4-one;1-[(2R,3R,4R,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxy-3-methyloxolan-2-yl]-2-methylidenepyrimidin-4-one;1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxy-5-methyloxolan-2-yl]-2-methylidenepyrimidin-4-one;1-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-propylpyrimidine-2,4-dione

C78H129N10O22P5 — CID 157368385

About 5-but-3-enyl-1-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3S,4R,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxy-3-methyloxolan-2-yl]-2-methylidenepyrimidin-4-one;1-[(2R,3R,4R,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxy-3-methyloxolan-2-yl]-2-methylidenepyrimidin-4-one;1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxy-5-methyloxolan-2-yl]-2-methylidenepyrimidin-4-one;1-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-propylpyrimidine-2,4-dione

5-but-3-enyl-1-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3S,4R,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxy-3-methyloxolan-2-yl]-2-methylidenepyrimidin-4-one;1-[(2R,3R,4R,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxy-3-methyloxolan-2-yl]-2-methylidenepyrimidin-4-one;1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxy-5-methyloxolan-2-yl]-2-methylidenepyrimidin-4-one;1-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-propylpyrimidine-2,4-dione (PubChem CID 157368385) has the molecular formula C78H129N10O22P5 and a molecular weight of 1713.81 g/mol. Its IUPAC name is 5-but-3-enyl-1-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3S,4R,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxy-3-methyloxolan-2-yl]-2-methylidenepyrimidin-4-one;1-[(2R,3R,4R,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxy-3-methyloxolan-2-yl]-2-methylidenepyrimidin-4-one;1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxy-5-methyloxolan-2-yl]-2-methylidenepyrimidin-4-one;1-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-propylpyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 5-but-3-enyl-1-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3S,4R,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxy-3-methyloxolan-2-yl]-2-methylidenepyrimidin-4-one;1-[(2R,3R,4R,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxy-3-methyloxolan-2-yl]-2-methylidenepyrimidin-4-one;1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxy-5-methyloxolan-2-yl]-2-methylidenepyrimidin-4-one;1-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-propylpyrimidine-2,4-dione
• PubChem CID: 157368385
• Molecular Formula: C78H129N10O22P5
• Molecular Weight: 1713.81 g/mol
• Exact Mass: 1712.80
• IUPAC Name: 5-but-3-enyl-1-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3S,4R,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxy-3-methyloxolan-2-yl]-2-methylidenepyrimidin-4-one;1-[(2R,3R,4R,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxy-3-methyloxolan-2-yl]-2-methylidenepyrimidin-4-one;1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxy-5-methyloxolan-2-yl]-2-methylidenepyrimidin-4-one;1-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-propylpyrimidine-2,4-dione
• SMILES: C=C1NC(=O)C=CN1[C@@H]1O[C@H](CCP(=C)(C)C)[C@@H](O)[C@@]1(C)O.C=C1NC(=O)C=CN1[C@@H]1O[C@H](CCP(=C)(C)C)[C@@H](O)[C@]1(C)O.C=C1NC(=O)C=CN1[C@@H]1O[C@](C)(CCP(=C)(C)C)[C@@H](O)[C@H]1O.C=CCCc1cn(C2O[C@H](CCP(=C)(C)C)[C@@H](O)[C@H]2O)c(=O)[nH]c1=O.C=P(C)(C)CC[C@H]1OC(n2cc(CCC)c(=O)[nH]c2=O)[C@H](O)[C@@H]1O
• InChI: InChI=1S/C17H27N2O5P.C16H27N2O5P.3C15H25N2O4P/c1-5-6-7-11-10-19(17(23)18-15(11)22)16-14(21)13(20)12(24-16)8-9-25(2,3)4;1-5-6-10-9-18(16(22)17-14(10)21)15-13(20)12(19)11(23-15)7-8-24(2,3)4;2*1-10-16-12(18)6-8-17(10)14-15(2,20)13(19)11(21-14)7-9-22(3,4)5;1-10-16-11(18)6-8-17(10)14-12(19)13(20)15(2,21-14)7-9-22(3,4)5/h5,10,12-14,16,20-21H,1-2,6-9H2,3-4H3,(H,18,22,23);9,11-13,15,19-20H,2,5-8H2,1,3-4H3,(H,17,21,22);2*6,8,11,13-14,19-20H,1,3,7,9H2,2,4-5H3,(H,16,18);6,8,12-14,19-20H,1,3,7,9H2,2,4-5H3,(H,16,18)/t12-,13-,14-,16?;11-,12-,13-,15?;11-,13-,14-,15+;11-,13-,14-,15-;12-,13+,14-,15-/m11111/s1
• InChIKey: BJLOVEYXMZWVGN-GSOSIQOJSA-N
• XLogP: 1.60
• TPSA: 455.19 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 27
• Rotatable Bonds: 25
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1713.81
LogP ≤ 5	1.60
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-but-3-enyl-1-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3S,4R,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxy-3-methyloxolan-2-yl]-2-methylidenepyrimidin-4-one;1-[(2R,3R,4R,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxy-3-methyloxolan-2-yl]-2-methylidenepyrimidin-4-one;1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxy-5-methyloxolan-2-yl]-2-methylidenepyrimidin-4-one;1-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-propylpyrimidine-2,4-dione?

The IUPAC name of 5-but-3-enyl-1-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3S,4R,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxy-3-methyloxolan-2-yl]-2-methylidenepyrimidin-4-one;1-[(2R,3R,4R,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxy-3-methyloxolan-2-yl]-2-methylidenepyrimidin-4-one;1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxy-5-methyloxolan-2-yl]-2-methylidenepyrimidin-4-one;1-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-propylpyrimidine-2,4-dione (CID 157368385) is 5-but-3-enyl-1-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3S,4R,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxy-3-methyloxolan-2-yl]-2-methylidenepyrimidin-4-one;1-[(2R,3R,4R,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxy-3-methyloxolan-2-yl]-2-methylidenepyrimidin-4-one;1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxy-5-methyloxolan-2-yl]-2-methylidenepyrimidin-4-one;1-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-propylpyrimidine-2,4-dione.

What is the SMILES notation for 5-but-3-enyl-1-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3S,4R,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxy-3-methyloxolan-2-yl]-2-methylidenepyrimidin-4-one;1-[(2R,3R,4R,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxy-3-methyloxolan-2-yl]-2-methylidenepyrimidin-4-one;1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxy-5-methyloxolan-2-yl]-2-methylidenepyrimidin-4-one;1-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-propylpyrimidine-2,4-dione?

The canonical SMILES for 5-but-3-enyl-1-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3S,4R,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxy-3-methyloxolan-2-yl]-2-methylidenepyrimidin-4-one;1-[(2R,3R,4R,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxy-3-methyloxolan-2-yl]-2-methylidenepyrimidin-4-one;1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxy-5-methyloxolan-2-yl]-2-methylidenepyrimidin-4-one;1-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-propylpyrimidine-2,4-dione is C=C1NC(=O)C=CN1[C@@H]1O[C@H](CCP(=C)(C)C)[C@@H](O)[C@@]1(C)O.C=C1NC(=O)C=CN1[C@@H]1O[C@H](CCP(=C)(C)C)[C@@H](O)[C@]1(C)O.C=C1NC(=O)C=CN1[C@@H]1O[C@](C)(CCP(=C)(C)C)[C@@H](O)[C@H]1O.C=CCCc1cn(C2O[C@H](CCP(=C)(C)C)[C@@H](O)[C@H]2O)c(=O)[nH]c1=O.C=P(C)(C)CC[C@H]1OC(n2cc(CCC)c(=O)[nH]c2=O)[C@H](O)[C@@H]1O.

What is the InChIKey of 5-but-3-enyl-1-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3S,4R,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxy-3-methyloxolan-2-yl]-2-methylidenepyrimidin-4-one;1-[(2R,3R,4R,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxy-3-methyloxolan-2-yl]-2-methylidenepyrimidin-4-one;1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxy-5-methyloxolan-2-yl]-2-methylidenepyrimidin-4-one;1-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-propylpyrimidine-2,4-dione?

The InChIKey is BJLOVEYXMZWVGN-GSOSIQOJSA-N. The full InChI is InChI=1S/C17H27N2O5P.C16H27N2O5P.3C15H25N2O4P/c1-5-6-7-11-10-19(17(23)18-15(11)22)16-14(21)13(20)12(24-16)8-9-25(2,3)4;1-5-6-10-9-18(16(22)17-14(10)21)15-13(20)12(19)11(23-15)7-8-24(2,3)4;2*1-10-16-12(18)6-8-17(10)14-15(2,20)13(19)11(21-14)7-9-22(3,4)5;1-10-16-11(18)6-8-17(10)14-12(19)13(20)15(2,21-14)7-9-22(3,4)5/h5,10,12-14,16,20-21H,1-2,6-9H2,3-4H3,(H,18,22,23);9,11-13,15,19-20H,2,5-8H2,1,3-4H3,(H,17,21,22);2*6,8,11,13-14,19-20H,1,3,7,9H2,2,4-5H3,(H,16,18);6,8,12-14,19-20H,1,3,7,9H2,2,4-5H3,(H,16,18)/t12-,13-,14-,16?;11-,12-,13-,15?;11-,13-,14-,15+;11-,13-,14-,15-;12-,13+,14-,15-/m11111/s1.

What are the key properties of 5-but-3-enyl-1-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3S,4R,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxy-3-methyloxolan-2-yl]-2-methylidenepyrimidin-4-one;1-[(2R,3R,4R,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxy-3-methyloxolan-2-yl]-2-methylidenepyrimidin-4-one;1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxy-5-methyloxolan-2-yl]-2-methylidenepyrimidin-4-one;1-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-propylpyrimidine-2,4-dione?

5-but-3-enyl-1-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3S,4R,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxy-3-methyloxolan-2-yl]-2-methylidenepyrimidin-4-one;1-[(2R,3R,4R,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxy-3-methyloxolan-2-yl]-2-methylidenepyrimidin-4-one;1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxy-5-methyloxolan-2-yl]-2-methylidenepyrimidin-4-one;1-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-propylpyrimidine-2,4-dione has a molecular weight of 1713.81 g/mol, XLogP of 1.60, 25 rotatable bonds, 15 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 5-but-3-enyl-1-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3S,4R,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxy-3-methyloxolan-2-yl]-2-methylidenepyrimidin-4-one;1-[(2R,3R,4R,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxy-3-methyloxolan-2-yl]-2-methylidenepyrimidin-4-one;1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxy-5-methyloxolan-2-yl]-2-methylidenepyrimidin-4-one;1-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-propylpyrimidine-2,4-dione is sourced from PubChem (CID 157368385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).