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

C81H133N10O25P5 — CID 159407643

About 5-but-3-enyl-1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]pyrimidine-2,4-dione;5-butyl-1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-ethylpyrimidine-2,4-dione;1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-prop-2-enylpyrimidine-2,4-dione;1-[(2R,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-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]pyrimidine-2,4-dione;5-butyl-1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-ethylpyrimidine-2,4-dione;1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-prop-2-enylpyrimidine-2,4-dione;1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-propylpyrimidine-2,4-dione (PubChem CID 159407643) has the molecular formula C81H133N10O25P5 and a molecular weight of 1801.87 g/mol. Its IUPAC name is 5-but-3-enyl-1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]pyrimidine-2,4-dione;5-butyl-1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-ethylpyrimidine-2,4-dione;1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-prop-2-enylpyrimidine-2,4-dione;1-[(2R,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-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]pyrimidine-2,4-dione;5-butyl-1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-ethylpyrimidine-2,4-dione;1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-prop-2-enylpyrimidine-2,4-dione;1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-propylpyrimidine-2,4-dione
• PubChem CID: 159407643
• Molecular Formula: C81H133N10O25P5
• Molecular Weight: 1801.87 g/mol
• Exact Mass: 1800.81
• IUPAC Name: 5-but-3-enyl-1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]pyrimidine-2,4-dione;5-butyl-1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-ethylpyrimidine-2,4-dione;1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-prop-2-enylpyrimidine-2,4-dione;1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-propylpyrimidine-2,4-dione
• SMILES: C=CCCc1cn([C@@H]2O[C@H](CCP(=C)(C)C)[C@@H](O)[C@H]2O)c(=O)[nH]c1=O.C=CCc1cn([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](n2cc(CC)c(=O)[nH]c2=O)[C@H](O)[C@@H]1O.C=P(C)(C)CC[C@H]1O[C@@H](n2cc(CCC)c(=O)[nH]c2=O)[C@H](O)[C@@H]1O.C=P(C)(C)CC[C@H]1O[C@@H](n2cc(CCCC)c(=O)[nH]c2=O)[C@H](O)[C@@H]1O
• InChI: InChI=1S/C17H29N2O5P.C17H27N2O5P.C16H27N2O5P.C16H25N2O5P.C15H25N2O5P/c2*1-5-6-7-11-10-19(17(23)18-15(11)22)16-14(21)13(20)12(24-16)8-9-25(2,3)4;2*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;1-5-9-8-17(15(21)16-13(9)20)14-12(19)11(18)10(22-14)6-7-23(2,3)4/h10,12-14,16,20-21H,2,5-9H2,1,3-4H3,(H,18,22,23);5,10,12-14,16,20-21H,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);5,9,11-13,15,19-20H,1-2,6-8H2,3-4H3,(H,17,21,22);8,10-12,14,18-19H,2,5-7H2,1,3-4H3,(H,16,20,21)/t2*12-,13-,14-,16-;2*11-,12-,13-,15-;10-,11-,12-,14-/m11111/s1
• InChIKey: LODYIEYLALUFHD-AMKKZPDNSA-N
• XLogP: 0.98
• TPSA: 522.75 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 30
• Rotatable Bonds: 31
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1801.87
LogP ≤ 5	0.98
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	30

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-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]pyrimidine-2,4-dione;5-butyl-1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-ethylpyrimidine-2,4-dione;1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-prop-2-enylpyrimidine-2,4-dione;1-[(2R,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-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]pyrimidine-2,4-dione;5-butyl-1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-ethylpyrimidine-2,4-dione;1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-prop-2-enylpyrimidine-2,4-dione;1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-propylpyrimidine-2,4-dione (CID 159407643) is 5-but-3-enyl-1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]pyrimidine-2,4-dione;5-butyl-1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-ethylpyrimidine-2,4-dione;1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-prop-2-enylpyrimidine-2,4-dione;1-[(2R,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-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]pyrimidine-2,4-dione;5-butyl-1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-ethylpyrimidine-2,4-dione;1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-prop-2-enylpyrimidine-2,4-dione;1-[(2R,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-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]pyrimidine-2,4-dione;5-butyl-1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-ethylpyrimidine-2,4-dione;1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-prop-2-enylpyrimidine-2,4-dione;1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-propylpyrimidine-2,4-dione is C=CCCc1cn([C@@H]2O[C@H](CCP(=C)(C)C)[C@@H](O)[C@H]2O)c(=O)[nH]c1=O.C=CCc1cn([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](n2cc(CC)c(=O)[nH]c2=O)[C@H](O)[C@@H]1O.C=P(C)(C)CC[C@H]1O[C@@H](n2cc(CCC)c(=O)[nH]c2=O)[C@H](O)[C@@H]1O.C=P(C)(C)CC[C@H]1O[C@@H](n2cc(CCCC)c(=O)[nH]c2=O)[C@H](O)[C@@H]1O.

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

The InChIKey is LODYIEYLALUFHD-AMKKZPDNSA-N. The full InChI is InChI=1S/C17H29N2O5P.C17H27N2O5P.C16H27N2O5P.C16H25N2O5P.C15H25N2O5P/c2*1-5-6-7-11-10-19(17(23)18-15(11)22)16-14(21)13(20)12(24-16)8-9-25(2,3)4;2*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;1-5-9-8-17(15(21)16-13(9)20)14-12(19)11(18)10(22-14)6-7-23(2,3)4/h10,12-14,16,20-21H,2,5-9H2,1,3-4H3,(H,18,22,23);5,10,12-14,16,20-21H,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);5,9,11-13,15,19-20H,1-2,6-8H2,3-4H3,(H,17,21,22);8,10-12,14,18-19H,2,5-7H2,1,3-4H3,(H,16,20,21)/t2*12-,13-,14-,16-;2*11-,12-,13-,15-;10-,11-,12-,14-/m11111/s1.

What are the key properties of 5-but-3-enyl-1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]pyrimidine-2,4-dione;5-butyl-1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-ethylpyrimidine-2,4-dione;1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-prop-2-enylpyrimidine-2,4-dione;1-[(2R,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-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]pyrimidine-2,4-dione;5-butyl-1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-ethylpyrimidine-2,4-dione;1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-prop-2-enylpyrimidine-2,4-dione;1-[(2R,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 1801.87 g/mol, XLogP of 0.98, 31 rotatable bonds, 15 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 5-but-3-enyl-1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]pyrimidine-2,4-dione;5-butyl-1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-ethylpyrimidine-2,4-dione;1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-prop-2-enylpyrimidine-2,4-dione;1-[(2R,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 159407643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).