1-but-3-enyl-5-[(2S,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]pyrimidine-2,4-dione;5-[(2S,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-1-ethenylpyrimidine-2,4-dione;5-[(2S,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-1-prop-2-enylpyrimidine-2,4-dione;5-[(2S,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-1-propylpyrimidine-2,4-dione

C64H102N8O20P4 — CID 161487445

About 1-but-3-enyl-5-[(2S,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]pyrimidine-2,4-dione;5-[(2S,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-1-ethenylpyrimidine-2,4-dione;5-[(2S,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-1-prop-2-enylpyrimidine-2,4-dione;5-[(2S,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-1-propylpyrimidine-2,4-dione

1-but-3-enyl-5-[(2S,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]pyrimidine-2,4-dione;5-[(2S,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-1-ethenylpyrimidine-2,4-dione;5-[(2S,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-1-prop-2-enylpyrimidine-2,4-dione;5-[(2S,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-1-propylpyrimidine-2,4-dione (PubChem CID 161487445) has the molecular formula C64H102N8O20P4 and a molecular weight of 1427.45 g/mol. Its IUPAC name is 1-but-3-enyl-5-[(2S,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]pyrimidine-2,4-dione;5-[(2S,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-1-ethenylpyrimidine-2,4-dione;5-[(2S,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-1-prop-2-enylpyrimidine-2,4-dione;5-[(2S,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-1-propylpyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 1-but-3-enyl-5-[(2S,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]pyrimidine-2,4-dione;5-[(2S,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-1-ethenylpyrimidine-2,4-dione;5-[(2S,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-1-prop-2-enylpyrimidine-2,4-dione;5-[(2S,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-1-propylpyrimidine-2,4-dione
• PubChem CID: 161487445
• Molecular Formula: C64H102N8O20P4
• Molecular Weight: 1427.45 g/mol
• Exact Mass: 1426.62
• IUPAC Name: 1-but-3-enyl-5-[(2S,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]pyrimidine-2,4-dione;5-[(2S,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-1-ethenylpyrimidine-2,4-dione;5-[(2S,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-1-prop-2-enylpyrimidine-2,4-dione;5-[(2S,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-1-propylpyrimidine-2,4-dione
• SMILES: C=CCCn1cc([C@@H]2O[C@H](CCP(=C)(C)C)[C@@H](O)[C@H]2O)c(=O)[nH]c1=O.C=CCn1cc([C@@H]2O[C@H](CCP(=C)(C)C)[C@@H](O)[C@H]2O)c(=O)[nH]c1=O.C=Cn1cc([C@@H]2O[C@H](CCP(=C)(C)C)[C@@H](O)[C@H]2O)c(=O)[nH]c1=O.C=P(C)(C)CC[C@H]1O[C@@H](c2cn(CCC)c(=O)[nH]c2=O)[C@H](O)[C@@H]1O
• InChI: InChI=1S/C17H27N2O5P.C16H27N2O5P.C16H25N2O5P.C15H23N2O5P/c1-5-6-8-19-10-11(16(22)18-17(19)23)15-14(21)13(20)12(24-15)7-9-25(2,3)4;2*1-5-7-18-9-10(15(21)17-16(18)22)14-13(20)12(19)11(23-14)6-8-24(2,3)4;1-5-17-8-9(14(20)16-15(17)21)13-12(19)11(18)10(22-13)6-7-23(2,3)4/h5,10,12-15,20-21H,1-2,6-9H2,3-4H3,(H,18,22,23);9,11-14,19-20H,2,5-8H2,1,3-4H3,(H,17,21,22);5,9,11-14,19-20H,1-2,6-8H2,3-4H3,(H,17,21,22);5,8,10-13,18-19H,1-2,6-7H2,3-4H3,(H,16,20,21)/t12-,13-,14-,15+;2*11-,12-,13-,14+;10-,11-,12-,13+/m1111/s1
• InChIKey: WFDSWCWXZOMKFG-OAVSMPGGSA-N
• XLogP: 0.46
• TPSA: 418.20 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 24
• Rotatable Bonds: 24
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1427.45
LogP ≤ 5	0.46
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	24

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 1-but-3-enyl-5-[(2S,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]pyrimidine-2,4-dione;5-[(2S,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-1-ethenylpyrimidine-2,4-dione;5-[(2S,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-1-prop-2-enylpyrimidine-2,4-dione;5-[(2S,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-1-propylpyrimidine-2,4-dione?

The IUPAC name of 1-but-3-enyl-5-[(2S,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]pyrimidine-2,4-dione;5-[(2S,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-1-ethenylpyrimidine-2,4-dione;5-[(2S,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-1-prop-2-enylpyrimidine-2,4-dione;5-[(2S,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-1-propylpyrimidine-2,4-dione (CID 161487445) is 1-but-3-enyl-5-[(2S,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]pyrimidine-2,4-dione;5-[(2S,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-1-ethenylpyrimidine-2,4-dione;5-[(2S,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-1-prop-2-enylpyrimidine-2,4-dione;5-[(2S,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-1-propylpyrimidine-2,4-dione.

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

The canonical SMILES for 1-but-3-enyl-5-[(2S,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]pyrimidine-2,4-dione;5-[(2S,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-1-ethenylpyrimidine-2,4-dione;5-[(2S,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-1-prop-2-enylpyrimidine-2,4-dione;5-[(2S,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-1-propylpyrimidine-2,4-dione is C=CCCn1cc([C@@H]2O[C@H](CCP(=C)(C)C)[C@@H](O)[C@H]2O)c(=O)[nH]c1=O.C=CCn1cc([C@@H]2O[C@H](CCP(=C)(C)C)[C@@H](O)[C@H]2O)c(=O)[nH]c1=O.C=Cn1cc([C@@H]2O[C@H](CCP(=C)(C)C)[C@@H](O)[C@H]2O)c(=O)[nH]c1=O.C=P(C)(C)CC[C@H]1O[C@@H](c2cn(CCC)c(=O)[nH]c2=O)[C@H](O)[C@@H]1O.

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

The InChIKey is WFDSWCWXZOMKFG-OAVSMPGGSA-N. The full InChI is InChI=1S/C17H27N2O5P.C16H27N2O5P.C16H25N2O5P.C15H23N2O5P/c1-5-6-8-19-10-11(16(22)18-17(19)23)15-14(21)13(20)12(24-15)7-9-25(2,3)4;2*1-5-7-18-9-10(15(21)17-16(18)22)14-13(20)12(19)11(23-14)6-8-24(2,3)4;1-5-17-8-9(14(20)16-15(17)21)13-12(19)11(18)10(22-13)6-7-23(2,3)4/h5,10,12-15,20-21H,1-2,6-9H2,3-4H3,(H,18,22,23);9,11-14,19-20H,2,5-8H2,1,3-4H3,(H,17,21,22);5,9,11-14,19-20H,1-2,6-8H2,3-4H3,(H,17,21,22);5,8,10-13,18-19H,1-2,6-7H2,3-4H3,(H,16,20,21)/t12-,13-,14-,15+;2*11-,12-,13-,14+;10-,11-,12-,13+/m1111/s1.

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

1-but-3-enyl-5-[(2S,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]pyrimidine-2,4-dione;5-[(2S,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-1-ethenylpyrimidine-2,4-dione;5-[(2S,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-1-prop-2-enylpyrimidine-2,4-dione;5-[(2S,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-1-propylpyrimidine-2,4-dione has a molecular weight of 1427.45 g/mol, XLogP of 0.46, 24 rotatable bonds, 12 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 1-but-3-enyl-5-[(2S,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]pyrimidine-2,4-dione;5-[(2S,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-1-ethenylpyrimidine-2,4-dione;5-[(2S,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-1-prop-2-enylpyrimidine-2,4-dione;5-[(2S,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 161487445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).