dimethoxyphosphoryl(dimethylphosphoryl)methane;1-[(2R,3R,4R,5R)-5-[(E)-2-dimethylphosphorylethenyl]-4-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-3-(2-methoxyethoxy)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-5-[(E)-2-dimethylphosphorylethenyl]-4-hydroxy-3-(2-methoxyethoxy)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,3R,4R,5S)-5-[(E)-2-dimethylphosphorylethenyl]-3-(2-methoxyethoxy)-4-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,3R,4R,5S)-5-(hydroxymethyl)-3-(2-methoxyethoxy)-4-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione

C77H130N10O31P6 — CID 161431083

About dimethoxyphosphoryl(dimethylphosphoryl)methane;1-[(2R,3R,4R,5R)-5-[(E)-2-dimethylphosphorylethenyl]-4-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-3-(2-methoxyethoxy)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-5-[(E)-2-dimethylphosphorylethenyl]-4-hydroxy-3-(2-methoxyethoxy)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,3R,4R,5S)-5-[(E)-2-dimethylphosphorylethenyl]-3-(2-methoxyethoxy)-4-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,3R,4R,5S)-5-(hydroxymethyl)-3-(2-methoxyethoxy)-4-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione

dimethoxyphosphoryl(dimethylphosphoryl)methane;1-[(2R,3R,4R,5R)-5-[(E)-2-dimethylphosphorylethenyl]-4-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-3-(2-methoxyethoxy)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-5-[(E)-2-dimethylphosphorylethenyl]-4-hydroxy-3-(2-methoxyethoxy)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,3R,4R,5S)-5-[(E)-2-dimethylphosphorylethenyl]-3-(2-methoxyethoxy)-4-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,3R,4R,5S)-5-(hydroxymethyl)-3-(2-methoxyethoxy)-4-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione (PubChem CID 161431083) has the molecular formula C77H130N10O31P6 and a molecular weight of 1877.77 g/mol. Its IUPAC name is dimethoxyphosphoryl(dimethylphosphoryl)methane;1-[(2R,3R,4R,5R)-5-[(E)-2-dimethylphosphorylethenyl]-4-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-3-(2-methoxyethoxy)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-5-[(E)-2-dimethylphosphorylethenyl]-4-hydroxy-3-(2-methoxyethoxy)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,3R,4R,5S)-5-[(E)-2-dimethylphosphorylethenyl]-3-(2-methoxyethoxy)-4-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,3R,4R,5S)-5-(hydroxymethyl)-3-(2-methoxyethoxy)-4-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

• Compound Name: dimethoxyphosphoryl(dimethylphosphoryl)methane;1-[(2R,3R,4R,5R)-5-[(E)-2-dimethylphosphorylethenyl]-4-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-3-(2-methoxyethoxy)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-5-[(E)-2-dimethylphosphorylethenyl]-4-hydroxy-3-(2-methoxyethoxy)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,3R,4R,5S)-5-[(E)-2-dimethylphosphorylethenyl]-3-(2-methoxyethoxy)-4-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,3R,4R,5S)-5-(hydroxymethyl)-3-(2-methoxyethoxy)-4-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
• PubChem CID: 161431083
• Molecular Formula: C77H130N10O31P6
• Molecular Weight: 1877.77 g/mol
• Exact Mass: 1876.73
• IUPAC Name: dimethoxyphosphoryl(dimethylphosphoryl)methane;1-[(2R,3R,4R,5R)-5-[(E)-2-dimethylphosphorylethenyl]-4-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-3-(2-methoxyethoxy)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-5-[(E)-2-dimethylphosphorylethenyl]-4-hydroxy-3-(2-methoxyethoxy)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,3R,4R,5S)-5-[(E)-2-dimethylphosphorylethenyl]-3-(2-methoxyethoxy)-4-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,3R,4R,5S)-5-(hydroxymethyl)-3-(2-methoxyethoxy)-4-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
• SMILES: COCCO[C@@H]1[C@H](C)[C@@H](/C=C/P(C)(C)=O)O[C@H]1n1cc(C)c(=O)[nH]c1=O.COCCO[C@@H]1[C@H](C)[C@@H](CO)O[C@H]1n1cc(C)c(=O)[nH]c1=O.COCCO[C@@H]1[C@H](O)[C@@H](/C=C/P(C)(C)=O)O[C@H]1n1cc(C)c(=O)[nH]c1=O.COP(=O)(CP(C)(C)=O)OC.[C-]#[N+]CCOP(O[C@H]1[C@@H](OCCOC)[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1/C=C/P(C)(C)=O)N(C(C)C)C(C)C
• InChI: InChI=1S/C25H42N4O8P2.C17H27N2O6P.C16H25N2O7P.C14H22N2O6.C5H14O4P2/c1-17(2)29(18(3)4)38(35-12-11-26-6)37-21-20(10-15-39(8,9)32)36-24(22(21)34-14-13-33-7)28-16-19(5)23(30)27-25(28)31;1-11-10-19(17(21)18-15(11)20)16-14(24-8-7-23-3)12(2)13(25-16)6-9-26(4,5)22;1-10-9-18(16(21)17-14(10)20)15-13(24-7-6-23-2)12(19)11(25-15)5-8-26(3,4)22;1-8-6-16(14(19)15-12(8)18)13-11(21-5-4-20-3)9(2)10(7-17)22-13;1-8-11(7,9-2)5-10(3,4)6/h10,15-18,20-22,24H,11-14H2,1-5,7-9H3,(H,27,30,31);6,9-10,12-14,16H,7-8H2,1-5H3,(H,18,20,21);5,8-9,11-13,15,19H,6-7H2,1-4H3,(H,17,20,21);6,9-11,13,17H,4-5,7H2,1-3H3,(H,15,18,19);5H2,1-4H3/b15-10+;9-6+;8-5+;;/t20-,21-,22-,24-,38?;12-,13-,14-,16-;11-,12-,13-,15-;9-,10-,11-,13-;/m1111./s1
• InChIKey: VYACTZHZXMLOHJ-GBHSGPILSA-N
• XLogP: 6.85
• TPSA: 500.53 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 36
• Rotatable Bonds: 39
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1877.77
LogP ≤ 5	6.85
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dimethoxyphosphoryl(dimethylphosphoryl)methane;1-[(2R,3R,4R,5R)-5-[(E)-2-dimethylphosphorylethenyl]-4-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-3-(2-methoxyethoxy)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-5-[(E)-2-dimethylphosphorylethenyl]-4-hydroxy-3-(2-methoxyethoxy)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,3R,4R,5S)-5-[(E)-2-dimethylphosphorylethenyl]-3-(2-methoxyethoxy)-4-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,3R,4R,5S)-5-(hydroxymethyl)-3-(2-methoxyethoxy)-4-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione?

The IUPAC name of dimethoxyphosphoryl(dimethylphosphoryl)methane;1-[(2R,3R,4R,5R)-5-[(E)-2-dimethylphosphorylethenyl]-4-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-3-(2-methoxyethoxy)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-5-[(E)-2-dimethylphosphorylethenyl]-4-hydroxy-3-(2-methoxyethoxy)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,3R,4R,5S)-5-[(E)-2-dimethylphosphorylethenyl]-3-(2-methoxyethoxy)-4-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,3R,4R,5S)-5-(hydroxymethyl)-3-(2-methoxyethoxy)-4-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione (CID 161431083) is dimethoxyphosphoryl(dimethylphosphoryl)methane;1-[(2R,3R,4R,5R)-5-[(E)-2-dimethylphosphorylethenyl]-4-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-3-(2-methoxyethoxy)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-5-[(E)-2-dimethylphosphorylethenyl]-4-hydroxy-3-(2-methoxyethoxy)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,3R,4R,5S)-5-[(E)-2-dimethylphosphorylethenyl]-3-(2-methoxyethoxy)-4-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,3R,4R,5S)-5-(hydroxymethyl)-3-(2-methoxyethoxy)-4-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione.

What is the SMILES notation for dimethoxyphosphoryl(dimethylphosphoryl)methane;1-[(2R,3R,4R,5R)-5-[(E)-2-dimethylphosphorylethenyl]-4-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-3-(2-methoxyethoxy)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-5-[(E)-2-dimethylphosphorylethenyl]-4-hydroxy-3-(2-methoxyethoxy)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,3R,4R,5S)-5-[(E)-2-dimethylphosphorylethenyl]-3-(2-methoxyethoxy)-4-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,3R,4R,5S)-5-(hydroxymethyl)-3-(2-methoxyethoxy)-4-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione?

The canonical SMILES for dimethoxyphosphoryl(dimethylphosphoryl)methane;1-[(2R,3R,4R,5R)-5-[(E)-2-dimethylphosphorylethenyl]-4-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-3-(2-methoxyethoxy)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-5-[(E)-2-dimethylphosphorylethenyl]-4-hydroxy-3-(2-methoxyethoxy)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,3R,4R,5S)-5-[(E)-2-dimethylphosphorylethenyl]-3-(2-methoxyethoxy)-4-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,3R,4R,5S)-5-(hydroxymethyl)-3-(2-methoxyethoxy)-4-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione is COCCO[C@@H]1[C@H](C)[C@@H](/C=C/P(C)(C)=O)O[C@H]1n1cc(C)c(=O)[nH]c1=O.COCCO[C@@H]1[C@H](C)[C@@H](CO)O[C@H]1n1cc(C)c(=O)[nH]c1=O.COCCO[C@@H]1[C@H](O)[C@@H](/C=C/P(C)(C)=O)O[C@H]1n1cc(C)c(=O)[nH]c1=O.COP(=O)(CP(C)(C)=O)OC.[C-]#[N+]CCOP(O[C@H]1[C@@H](OCCOC)[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1/C=C/P(C)(C)=O)N(C(C)C)C(C)C.

What is the InChIKey of dimethoxyphosphoryl(dimethylphosphoryl)methane;1-[(2R,3R,4R,5R)-5-[(E)-2-dimethylphosphorylethenyl]-4-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-3-(2-methoxyethoxy)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-5-[(E)-2-dimethylphosphorylethenyl]-4-hydroxy-3-(2-methoxyethoxy)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,3R,4R,5S)-5-[(E)-2-dimethylphosphorylethenyl]-3-(2-methoxyethoxy)-4-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,3R,4R,5S)-5-(hydroxymethyl)-3-(2-methoxyethoxy)-4-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione?

The InChIKey is VYACTZHZXMLOHJ-GBHSGPILSA-N. The full InChI is InChI=1S/C25H42N4O8P2.C17H27N2O6P.C16H25N2O7P.C14H22N2O6.C5H14O4P2/c1-17(2)29(18(3)4)38(35-12-11-26-6)37-21-20(10-15-39(8,9)32)36-24(22(21)34-14-13-33-7)28-16-19(5)23(30)27-25(28)31;1-11-10-19(17(21)18-15(11)20)16-14(24-8-7-23-3)12(2)13(25-16)6-9-26(4,5)22;1-10-9-18(16(21)17-14(10)20)15-13(24-7-6-23-2)12(19)11(25-15)5-8-26(3,4)22;1-8-6-16(14(19)15-12(8)18)13-11(21-5-4-20-3)9(2)10(7-17)22-13;1-8-11(7,9-2)5-10(3,4)6/h10,15-18,20-22,24H,11-14H2,1-5,7-9H3,(H,27,30,31);6,9-10,12-14,16H,7-8H2,1-5H3,(H,18,20,21);5,8-9,11-13,15,19H,6-7H2,1-4H3,(H,17,20,21);6,9-11,13,17H,4-5,7H2,1-3H3,(H,15,18,19);5H2,1-4H3/b15-10+;9-6+;8-5+;;/t20-,21-,22-,24-,38?;12-,13-,14-,16-;11-,12-,13-,15-;9-,10-,11-,13-;/m1111./s1.

What are the key properties of dimethoxyphosphoryl(dimethylphosphoryl)methane;1-[(2R,3R,4R,5R)-5-[(E)-2-dimethylphosphorylethenyl]-4-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-3-(2-methoxyethoxy)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-5-[(E)-2-dimethylphosphorylethenyl]-4-hydroxy-3-(2-methoxyethoxy)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,3R,4R,5S)-5-[(E)-2-dimethylphosphorylethenyl]-3-(2-methoxyethoxy)-4-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,3R,4R,5S)-5-(hydroxymethyl)-3-(2-methoxyethoxy)-4-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione?

dimethoxyphosphoryl(dimethylphosphoryl)methane;1-[(2R,3R,4R,5R)-5-[(E)-2-dimethylphosphorylethenyl]-4-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-3-(2-methoxyethoxy)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-5-[(E)-2-dimethylphosphorylethenyl]-4-hydroxy-3-(2-methoxyethoxy)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,3R,4R,5S)-5-[(E)-2-dimethylphosphorylethenyl]-3-(2-methoxyethoxy)-4-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,3R,4R,5S)-5-(hydroxymethyl)-3-(2-methoxyethoxy)-4-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione has a molecular weight of 1877.77 g/mol, XLogP of 6.85, 39 rotatable bonds, 6 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for dimethoxyphosphoryl(dimethylphosphoryl)methane;1-[(2R,3R,4R,5R)-5-[(E)-2-dimethylphosphorylethenyl]-4-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-3-(2-methoxyethoxy)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-5-[(E)-2-dimethylphosphorylethenyl]-4-hydroxy-3-(2-methoxyethoxy)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,3R,4R,5S)-5-[(E)-2-dimethylphosphorylethenyl]-3-(2-methoxyethoxy)-4-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,3R,4R,5S)-5-(hydroxymethyl)-3-(2-methoxyethoxy)-4-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 161431083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).