dichloromethane;1-[(2R,3R,4R,5R)-5-[(2S)-1-dimethylphosphorylpropan-2-yl]-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-[(2S)-1-dimethylphosphorylpropan-2-yl]-4-hydroxy-3-(2-methoxyethoxy)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;4-O-[(2R,3R,4R,5R)-2-[(2S)-1-dimethylphosphorylpropan-2-yl]-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] 1-O-methyl butanedioate;4-[(2R,3R,4R,5R)-2-[(2S)-1-dimethylphosphorylpropan-2-yl]-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-4-oxobutanoic acid;methane;2-methylpropane;oxolane-2,5-dione

C96H163Cl2N10O38P5 — CID 157232664

About dichloromethane;1-[(2R,3R,4R,5R)-5-[(2S)-1-dimethylphosphorylpropan-2-yl]-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-[(2S)-1-dimethylphosphorylpropan-2-yl]-4-hydroxy-3-(2-methoxyethoxy)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;4-O-[(2R,3R,4R,5R)-2-[(2S)-1-dimethylphosphorylpropan-2-yl]-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] 1-O-methyl butanedioate;4-[(2R,3R,4R,5R)-2-[(2S)-1-dimethylphosphorylpropan-2-yl]-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-4-oxobutanoic acid;methane;2-methylpropane;oxolane-2,5-dione

dichloromethane;1-[(2R,3R,4R,5R)-5-[(2S)-1-dimethylphosphorylpropan-2-yl]-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-[(2S)-1-dimethylphosphorylpropan-2-yl]-4-hydroxy-3-(2-methoxyethoxy)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;4-O-[(2R,3R,4R,5R)-2-[(2S)-1-dimethylphosphorylpropan-2-yl]-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] 1-O-methyl butanedioate;4-[(2R,3R,4R,5R)-2-[(2S)-1-dimethylphosphorylpropan-2-yl]-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-4-oxobutanoic acid;methane;2-methylpropane;oxolane-2,5-dione (PubChem CID 157232664) has the molecular formula C96H163Cl2N10O38P5 and a molecular weight of 2291.17 g/mol. Its IUPAC name is dichloromethane;1-[(2R,3R,4R,5R)-5-[(2S)-1-dimethylphosphorylpropan-2-yl]-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-[(2S)-1-dimethylphosphorylpropan-2-yl]-4-hydroxy-3-(2-methoxyethoxy)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;4-O-[(2R,3R,4R,5R)-2-[(2S)-1-dimethylphosphorylpropan-2-yl]-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] 1-O-methyl butanedioate;4-[(2R,3R,4R,5R)-2-[(2S)-1-dimethylphosphorylpropan-2-yl]-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-4-oxobutanoic acid;methane;2-methylpropane;oxolane-2,5-dione.

Molecular Properties

• Compound Name: dichloromethane;1-[(2R,3R,4R,5R)-5-[(2S)-1-dimethylphosphorylpropan-2-yl]-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-[(2S)-1-dimethylphosphorylpropan-2-yl]-4-hydroxy-3-(2-methoxyethoxy)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;4-O-[(2R,3R,4R,5R)-2-[(2S)-1-dimethylphosphorylpropan-2-yl]-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] 1-O-methyl butanedioate;4-[(2R,3R,4R,5R)-2-[(2S)-1-dimethylphosphorylpropan-2-yl]-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-4-oxobutanoic acid;methane;2-methylpropane;oxolane-2,5-dione
• PubChem CID: 157232664
• Molecular Formula: C96H163Cl2N10O38P5
• Molecular Weight: 2291.17 g/mol
• Exact Mass: 2288.92
• IUPAC Name: dichloromethane;1-[(2R,3R,4R,5R)-5-[(2S)-1-dimethylphosphorylpropan-2-yl]-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-[(2S)-1-dimethylphosphorylpropan-2-yl]-4-hydroxy-3-(2-methoxyethoxy)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;4-O-[(2R,3R,4R,5R)-2-[(2S)-1-dimethylphosphorylpropan-2-yl]-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] 1-O-methyl butanedioate;4-[(2R,3R,4R,5R)-2-[(2S)-1-dimethylphosphorylpropan-2-yl]-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-4-oxobutanoic acid;methane;2-methylpropane;oxolane-2,5-dione
• SMILES: C.CC(C)C.COCCO[C@@H]1[C@H](O)[C@@H]([C@H](C)CP(C)(C)=O)O[C@H]1n1cc(C)c(=O)[nH]c1=O.COCCO[C@@H]1[C@H](OC(=O)CCC(=O)O)[C@@H]([C@H](C)CP(C)(C)=O)O[C@H]1n1cc(C)c(=O)[nH]c1=O.COCCO[C@@H]1[C@H](OC(=O)CCC(=O)OC)[C@@H]([C@H](C)CP(C)(C)=O)O[C@H]1n1cc(C)c(=O)[nH]c1=O.ClCCl.O=C1CCC(=O)O1.[C-]#[N+]CCOP(O[C@H]1[C@@H](OCCOC)[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1[C@H](C)CP(C)(C)=O)N(C(C)C)C(C)C
• InChI: InChI=1S/C26H46N4O8P2.C22H35N2O10P.C21H33N2O10P.C17H29N2O7P.C4H4O3.C4H10.CH2Cl2.CH4/c1-17(2)30(18(3)4)39(36-12-11-27-7)38-22-21(20(6)16-40(9,10)33)37-25(23(22)35-14-13-34-8)29-15-19(5)24(31)28-26(29)32;1-13-11-24(22(28)23-20(13)27)21-19(32-10-9-30-3)18(33-16(26)8-7-15(25)31-4)17(34-21)14(2)12-35(5,6)29;1-12-10-23(21(28)22-19(12)27)20-18(31-9-8-30-3)17(32-15(26)7-6-14(24)25)16(33-20)13(2)11-34(4,5)29;1-10-8-19(17(22)18-15(10)21)16-14(25-7-6-24-3)12(20)13(26-16)11(2)9-27(4,5)23;5-3-1-2-4(6)7-3;1-4(2)3;2-1-3;/h15,17-18,20-23,25H,11-14,16H2,1-6,8-10H3,(H,28,31,32);11,14,17-19,21H,7-10,12H2,1-6H3,(H,23,27,28);10,13,16-18,20H,6-9,11H2,1-5H3,(H,24,25)(H,22,27,28);8,11-14,16,20H,6-7,9H2,1-5H3,(H,18,21,22);1-2H2;4H,1-3H3;1H2;1H4/t20-,21-,22-,23-,25-,39?;14-,17-,18-,19-,21-;13-,16-,17-,18-,20-;11-,12-,13-,14-,16-;;;;/m1111..../s1
• InChIKey: AUGXEEKYMPRGLK-CLNVRXEJSA-N
• XLogP: 9.37
• TPSA: 604.34 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 42
• Rotatable Bonds: 48
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2291.17
LogP ≤ 5	9.37
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dichloromethane;1-[(2R,3R,4R,5R)-5-[(2S)-1-dimethylphosphorylpropan-2-yl]-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-[(2S)-1-dimethylphosphorylpropan-2-yl]-4-hydroxy-3-(2-methoxyethoxy)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;4-O-[(2R,3R,4R,5R)-2-[(2S)-1-dimethylphosphorylpropan-2-yl]-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] 1-O-methyl butanedioate;4-[(2R,3R,4R,5R)-2-[(2S)-1-dimethylphosphorylpropan-2-yl]-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-4-oxobutanoic acid;methane;2-methylpropane;oxolane-2,5-dione?

The IUPAC name of dichloromethane;1-[(2R,3R,4R,5R)-5-[(2S)-1-dimethylphosphorylpropan-2-yl]-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-[(2S)-1-dimethylphosphorylpropan-2-yl]-4-hydroxy-3-(2-methoxyethoxy)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;4-O-[(2R,3R,4R,5R)-2-[(2S)-1-dimethylphosphorylpropan-2-yl]-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] 1-O-methyl butanedioate;4-[(2R,3R,4R,5R)-2-[(2S)-1-dimethylphosphorylpropan-2-yl]-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-4-oxobutanoic acid;methane;2-methylpropane;oxolane-2,5-dione (CID 157232664) is dichloromethane;1-[(2R,3R,4R,5R)-5-[(2S)-1-dimethylphosphorylpropan-2-yl]-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-[(2S)-1-dimethylphosphorylpropan-2-yl]-4-hydroxy-3-(2-methoxyethoxy)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;4-O-[(2R,3R,4R,5R)-2-[(2S)-1-dimethylphosphorylpropan-2-yl]-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] 1-O-methyl butanedioate;4-[(2R,3R,4R,5R)-2-[(2S)-1-dimethylphosphorylpropan-2-yl]-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-4-oxobutanoic acid;methane;2-methylpropane;oxolane-2,5-dione.

What is the SMILES notation for dichloromethane;1-[(2R,3R,4R,5R)-5-[(2S)-1-dimethylphosphorylpropan-2-yl]-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-[(2S)-1-dimethylphosphorylpropan-2-yl]-4-hydroxy-3-(2-methoxyethoxy)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;4-O-[(2R,3R,4R,5R)-2-[(2S)-1-dimethylphosphorylpropan-2-yl]-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] 1-O-methyl butanedioate;4-[(2R,3R,4R,5R)-2-[(2S)-1-dimethylphosphorylpropan-2-yl]-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-4-oxobutanoic acid;methane;2-methylpropane;oxolane-2,5-dione?

The canonical SMILES for dichloromethane;1-[(2R,3R,4R,5R)-5-[(2S)-1-dimethylphosphorylpropan-2-yl]-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-[(2S)-1-dimethylphosphorylpropan-2-yl]-4-hydroxy-3-(2-methoxyethoxy)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;4-O-[(2R,3R,4R,5R)-2-[(2S)-1-dimethylphosphorylpropan-2-yl]-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] 1-O-methyl butanedioate;4-[(2R,3R,4R,5R)-2-[(2S)-1-dimethylphosphorylpropan-2-yl]-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-4-oxobutanoic acid;methane;2-methylpropane;oxolane-2,5-dione is C.CC(C)C.COCCO[C@@H]1[C@H](O)[C@@H]([C@H](C)CP(C)(C)=O)O[C@H]1n1cc(C)c(=O)[nH]c1=O.COCCO[C@@H]1[C@H](OC(=O)CCC(=O)O)[C@@H]([C@H](C)CP(C)(C)=O)O[C@H]1n1cc(C)c(=O)[nH]c1=O.COCCO[C@@H]1[C@H](OC(=O)CCC(=O)OC)[C@@H]([C@H](C)CP(C)(C)=O)O[C@H]1n1cc(C)c(=O)[nH]c1=O.ClCCl.O=C1CCC(=O)O1.[C-]#[N+]CCOP(O[C@H]1[C@@H](OCCOC)[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1[C@H](C)CP(C)(C)=O)N(C(C)C)C(C)C.

What is the InChIKey of dichloromethane;1-[(2R,3R,4R,5R)-5-[(2S)-1-dimethylphosphorylpropan-2-yl]-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-[(2S)-1-dimethylphosphorylpropan-2-yl]-4-hydroxy-3-(2-methoxyethoxy)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;4-O-[(2R,3R,4R,5R)-2-[(2S)-1-dimethylphosphorylpropan-2-yl]-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] 1-O-methyl butanedioate;4-[(2R,3R,4R,5R)-2-[(2S)-1-dimethylphosphorylpropan-2-yl]-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-4-oxobutanoic acid;methane;2-methylpropane;oxolane-2,5-dione?

The InChIKey is AUGXEEKYMPRGLK-CLNVRXEJSA-N. The full InChI is InChI=1S/C26H46N4O8P2.C22H35N2O10P.C21H33N2O10P.C17H29N2O7P.C4H4O3.C4H10.CH2Cl2.CH4/c1-17(2)30(18(3)4)39(36-12-11-27-7)38-22-21(20(6)16-40(9,10)33)37-25(23(22)35-14-13-34-8)29-15-19(5)24(31)28-26(29)32;1-13-11-24(22(28)23-20(13)27)21-19(32-10-9-30-3)18(33-16(26)8-7-15(25)31-4)17(34-21)14(2)12-35(5,6)29;1-12-10-23(21(28)22-19(12)27)20-18(31-9-8-30-3)17(32-15(26)7-6-14(24)25)16(33-20)13(2)11-34(4,5)29;1-10-8-19(17(22)18-15(10)21)16-14(25-7-6-24-3)12(20)13(26-16)11(2)9-27(4,5)23;5-3-1-2-4(6)7-3;1-4(2)3;2-1-3;/h15,17-18,20-23,25H,11-14,16H2,1-6,8-10H3,(H,28,31,32);11,14,17-19,21H,7-10,12H2,1-6H3,(H,23,27,28);10,13,16-18,20H,6-9,11H2,1-5H3,(H,24,25)(H,22,27,28);8,11-14,16,20H,6-7,9H2,1-5H3,(H,18,21,22);1-2H2;4H,1-3H3;1H2;1H4/t20-,21-,22-,23-,25-,39?;14-,17-,18-,19-,21-;13-,16-,17-,18-,20-;11-,12-,13-,14-,16-;;;;/m1111..../s1.

What are the key properties of dichloromethane;1-[(2R,3R,4R,5R)-5-[(2S)-1-dimethylphosphorylpropan-2-yl]-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-[(2S)-1-dimethylphosphorylpropan-2-yl]-4-hydroxy-3-(2-methoxyethoxy)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;4-O-[(2R,3R,4R,5R)-2-[(2S)-1-dimethylphosphorylpropan-2-yl]-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] 1-O-methyl butanedioate;4-[(2R,3R,4R,5R)-2-[(2S)-1-dimethylphosphorylpropan-2-yl]-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-4-oxobutanoic acid;methane;2-methylpropane;oxolane-2,5-dione?

dichloromethane;1-[(2R,3R,4R,5R)-5-[(2S)-1-dimethylphosphorylpropan-2-yl]-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-[(2S)-1-dimethylphosphorylpropan-2-yl]-4-hydroxy-3-(2-methoxyethoxy)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;4-O-[(2R,3R,4R,5R)-2-[(2S)-1-dimethylphosphorylpropan-2-yl]-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] 1-O-methyl butanedioate;4-[(2R,3R,4R,5R)-2-[(2S)-1-dimethylphosphorylpropan-2-yl]-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-4-oxobutanoic acid;methane;2-methylpropane;oxolane-2,5-dione has a molecular weight of 2291.17 g/mol, XLogP of 9.37, 48 rotatable bonds, 6 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for dichloromethane;1-[(2R,3R,4R,5R)-5-[(2S)-1-dimethylphosphorylpropan-2-yl]-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-[(2S)-1-dimethylphosphorylpropan-2-yl]-4-hydroxy-3-(2-methoxyethoxy)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;4-O-[(2R,3R,4R,5R)-2-[(2S)-1-dimethylphosphorylpropan-2-yl]-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] 1-O-methyl butanedioate;4-[(2R,3R,4R,5R)-2-[(2S)-1-dimethylphosphorylpropan-2-yl]-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-4-oxobutanoic acid;methane;2-methylpropane;oxolane-2,5-dione is sourced from PubChem (CID 157232664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).