lithium;dipotassium;alumane;1-diazo-1-dimethoxyphosphorylpropan-2-one;bis(1-ethynyl-3-methylcyclobutane);hydride;(2S,5R)-2-[(E)-hydroxyiminomethyl]-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;(2S,5R)-6-hydroxy-2-[5-(3-methylcyclobutyl)-1,2-oxazol-3-yl]-1,6-diazabicyclo[3.2.1]octan-7-one;(2Z,2S,5R)-N-hydroxy-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboximidoyl chloride;bis(3-methylcyclobutane-1-carbaldehyde);(3-methylcyclobutyl)methanol;(2S,5R)-2-[5-(3-methylcyclobutyl)-1,2-oxazol-3-yl]-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;methyl 3-methylcyclobutane-1-carboxylate;oxido formate;1,3,5-trichloro-1,3,5-triazinane-2,4,6-trione

C111H156AlCl4K2LiN17O27P — CID 172954637

About lithium;dipotassium;alumane;1-diazo-1-dimethoxyphosphorylpropan-2-one;bis(1-ethynyl-3-methylcyclobutane);hydride;(2S,5R)-2-[(E)-hydroxyiminomethyl]-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;(2S,5R)-6-hydroxy-2-[5-(3-methylcyclobutyl)-1,2-oxazol-3-yl]-1,6-diazabicyclo[3.2.1]octan-7-one;(2Z,2S,5R)-N-hydroxy-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboximidoyl chloride;bis(3-methylcyclobutane-1-carbaldehyde);(3-methylcyclobutyl)methanol;(2S,5R)-2-[5-(3-methylcyclobutyl)-1,2-oxazol-3-yl]-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;methyl 3-methylcyclobutane-1-carboxylate;oxido formate;1,3,5-trichloro-1,3,5-triazinane-2,4,6-trione

lithium;dipotassium;alumane;1-diazo-1-dimethoxyphosphorylpropan-2-one;bis(1-ethynyl-3-methylcyclobutane);hydride;(2S,5R)-2-[(E)-hydroxyiminomethyl]-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;(2S,5R)-6-hydroxy-2-[5-(3-methylcyclobutyl)-1,2-oxazol-3-yl]-1,6-diazabicyclo[3.2.1]octan-7-one;(2Z,2S,5R)-N-hydroxy-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboximidoyl chloride;bis(3-methylcyclobutane-1-carbaldehyde);(3-methylcyclobutyl)methanol;(2S,5R)-2-[5-(3-methylcyclobutyl)-1,2-oxazol-3-yl]-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;methyl 3-methylcyclobutane-1-carboxylate;oxido formate;1,3,5-trichloro-1,3,5-triazinane-2,4,6-trione (PubChem CID 172954637) has the molecular formula C111H156AlCl4K2LiN17O27P and a molecular weight of 2445.47 g/mol. Its IUPAC name is lithium;dipotassium;alumane;1-diazo-1-dimethoxyphosphorylpropan-2-one;bis(1-ethynyl-3-methylcyclobutane);hydride;(2S,5R)-2-[(E)-hydroxyiminomethyl]-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;(2S,5R)-6-hydroxy-2-[5-(3-methylcyclobutyl)-1,2-oxazol-3-yl]-1,6-diazabicyclo[3.2.1]octan-7-one;(2Z,2S,5R)-N-hydroxy-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboximidoyl chloride;bis(3-methylcyclobutane-1-carbaldehyde);(3-methylcyclobutyl)methanol;(2S,5R)-2-[5-(3-methylcyclobutyl)-1,2-oxazol-3-yl]-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;methyl 3-methylcyclobutane-1-carboxylate;oxido formate;1,3,5-trichloro-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

• Compound Name: lithium;dipotassium;alumane;1-diazo-1-dimethoxyphosphorylpropan-2-one;bis(1-ethynyl-3-methylcyclobutane);hydride;(2S,5R)-2-[(E)-hydroxyiminomethyl]-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;(2S,5R)-6-hydroxy-2-[5-(3-methylcyclobutyl)-1,2-oxazol-3-yl]-1,6-diazabicyclo[3.2.1]octan-7-one;(2Z,2S,5R)-N-hydroxy-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboximidoyl chloride;bis(3-methylcyclobutane-1-carbaldehyde);(3-methylcyclobutyl)methanol;(2S,5R)-2-[5-(3-methylcyclobutyl)-1,2-oxazol-3-yl]-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;methyl 3-methylcyclobutane-1-carboxylate;oxido formate;1,3,5-trichloro-1,3,5-triazinane-2,4,6-trione
• PubChem CID: 172954637
• Molecular Formula: C111H156AlCl4K2LiN17O27P
• Molecular Weight: 2445.47 g/mol
• Exact Mass: 2441.91
• IUPAC Name: lithium;dipotassium;alumane;1-diazo-1-dimethoxyphosphorylpropan-2-one;bis(1-ethynyl-3-methylcyclobutane);hydride;(2S,5R)-2-[(E)-hydroxyiminomethyl]-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;(2S,5R)-6-hydroxy-2-[5-(3-methylcyclobutyl)-1,2-oxazol-3-yl]-1,6-diazabicyclo[3.2.1]octan-7-one;(2Z,2S,5R)-N-hydroxy-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboximidoyl chloride;bis(3-methylcyclobutane-1-carbaldehyde);(3-methylcyclobutyl)methanol;(2S,5R)-2-[5-(3-methylcyclobutyl)-1,2-oxazol-3-yl]-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;methyl 3-methylcyclobutane-1-carboxylate;oxido formate;1,3,5-trichloro-1,3,5-triazinane-2,4,6-trione
• SMILES: C#CC1CC(C)C1.C#CC1CC(C)C1.CC1CC(C=O)C1.CC1CC(C=O)C1.CC1CC(CO)C1.CC1CC(c2cc([C@@H]3CC[C@@H]4CN3C(=O)N4O)no2)C1.CC1CC(c2cc([C@@H]3CC[C@@H]4CN3C(=O)N4OCc3ccccc3)no2)C1.COC(=O)C1CC(C)C1.COP(=O)(OC)C(=[N+]=[N-])C(C)=O.O=C1N2C[C@@H](CC[C@H]2/C(Cl)=N/O)N1OCc1ccccc1.O=C1N2C[C@@H](CC[C@H]2/C=N/O)N1OCc1ccccc1.O=CO[O-].O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl.[AlH3].[H-].[H-].[K+].[K+].[Li+]
• InChI: InChI=1S/C21H25N3O3.C14H16ClN3O3.C14H19N3O3.C14H17N3O3.C7H12O2.2C7H10.C6H12O.2C6H10O.C5H9N2O4P.C3Cl3N3O3.CH2O3.Al.2K.Li.5H/c1-14-9-16(10-14)20-11-18(22-27-20)19-8-7-17-12-23(19)21(25)24(17)26-13-15-5-3-2-4-6-15;15-13(16-20)12-7-6-11-8-17(12)14(19)18(11)21-9-10-4-2-1-3-5-10;1-8-4-9(5-8)13-6-11(15-20-13)12-3-2-10-7-16(12)14(18)17(10)19;18-14-16-9-13(7-6-12(16)8-15-19)17(14)20-10-11-4-2-1-3-5-11;1-5-3-6(4-5)7(8)9-2;2*1-3-7-4-6(2)5-7;3*1-5-2-6(3-5)4-7;1-4(8)5(7-6)12(9,10-2)11-3;4-7-1(10)8(5)3(12)9(6)2(7)11;2-1-4-3;;;;;;;;;/h2-6,11,14,16-17,19H,7-10,12-13H2,1H3;1-5,11-12,20H,6-9H2;6,8-10,12,19H,2-5,7H2,1H3;1-5,8,12-13,19H,6-7,9-10H2;5-6H,3-4H2,1-2H3;2*1,6-7H,4-5H2,2H3;5-7H,2-4H2,1H3;2*4-6H,2-3H2,1H3;1-3H3;;1,3H;;;;;;;;;/q;;;;;;;;;;;;;;3*+1;;;;2*-1/p-1/b;16-13-;;15-8+;;;;;;;;;;;;;;;;;;/t14?,16?,17-,19+;11-,12+;8?,9?,10-,12+;12-,13+;;;;;;;;;;;;;;;;;;/m1110................../s1
• InChIKey: KABOVBRKALXTDH-DWHKUWLKSA-M
• XLogP: 7.42
• TPSA: 544.39 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 34
• Rotatable Bonds: 24
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2445.47
LogP ≤ 5	7.42
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of lithium;dipotassium;alumane;1-diazo-1-dimethoxyphosphorylpropan-2-one;bis(1-ethynyl-3-methylcyclobutane);hydride;(2S,5R)-2-[(E)-hydroxyiminomethyl]-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;(2S,5R)-6-hydroxy-2-[5-(3-methylcyclobutyl)-1,2-oxazol-3-yl]-1,6-diazabicyclo[3.2.1]octan-7-one;(2Z,2S,5R)-N-hydroxy-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboximidoyl chloride;bis(3-methylcyclobutane-1-carbaldehyde);(3-methylcyclobutyl)methanol;(2S,5R)-2-[5-(3-methylcyclobutyl)-1,2-oxazol-3-yl]-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;methyl 3-methylcyclobutane-1-carboxylate;oxido formate;1,3,5-trichloro-1,3,5-triazinane-2,4,6-trione?

The IUPAC name of lithium;dipotassium;alumane;1-diazo-1-dimethoxyphosphorylpropan-2-one;bis(1-ethynyl-3-methylcyclobutane);hydride;(2S,5R)-2-[(E)-hydroxyiminomethyl]-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;(2S,5R)-6-hydroxy-2-[5-(3-methylcyclobutyl)-1,2-oxazol-3-yl]-1,6-diazabicyclo[3.2.1]octan-7-one;(2Z,2S,5R)-N-hydroxy-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboximidoyl chloride;bis(3-methylcyclobutane-1-carbaldehyde);(3-methylcyclobutyl)methanol;(2S,5R)-2-[5-(3-methylcyclobutyl)-1,2-oxazol-3-yl]-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;methyl 3-methylcyclobutane-1-carboxylate;oxido formate;1,3,5-trichloro-1,3,5-triazinane-2,4,6-trione (CID 172954637) is lithium;dipotassium;alumane;1-diazo-1-dimethoxyphosphorylpropan-2-one;bis(1-ethynyl-3-methylcyclobutane);hydride;(2S,5R)-2-[(E)-hydroxyiminomethyl]-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;(2S,5R)-6-hydroxy-2-[5-(3-methylcyclobutyl)-1,2-oxazol-3-yl]-1,6-diazabicyclo[3.2.1]octan-7-one;(2Z,2S,5R)-N-hydroxy-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboximidoyl chloride;bis(3-methylcyclobutane-1-carbaldehyde);(3-methylcyclobutyl)methanol;(2S,5R)-2-[5-(3-methylcyclobutyl)-1,2-oxazol-3-yl]-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;methyl 3-methylcyclobutane-1-carboxylate;oxido formate;1,3,5-trichloro-1,3,5-triazinane-2,4,6-trione.

What is the SMILES notation for lithium;dipotassium;alumane;1-diazo-1-dimethoxyphosphorylpropan-2-one;bis(1-ethynyl-3-methylcyclobutane);hydride;(2S,5R)-2-[(E)-hydroxyiminomethyl]-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;(2S,5R)-6-hydroxy-2-[5-(3-methylcyclobutyl)-1,2-oxazol-3-yl]-1,6-diazabicyclo[3.2.1]octan-7-one;(2Z,2S,5R)-N-hydroxy-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboximidoyl chloride;bis(3-methylcyclobutane-1-carbaldehyde);(3-methylcyclobutyl)methanol;(2S,5R)-2-[5-(3-methylcyclobutyl)-1,2-oxazol-3-yl]-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;methyl 3-methylcyclobutane-1-carboxylate;oxido formate;1,3,5-trichloro-1,3,5-triazinane-2,4,6-trione?

The canonical SMILES for lithium;dipotassium;alumane;1-diazo-1-dimethoxyphosphorylpropan-2-one;bis(1-ethynyl-3-methylcyclobutane);hydride;(2S,5R)-2-[(E)-hydroxyiminomethyl]-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;(2S,5R)-6-hydroxy-2-[5-(3-methylcyclobutyl)-1,2-oxazol-3-yl]-1,6-diazabicyclo[3.2.1]octan-7-one;(2Z,2S,5R)-N-hydroxy-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboximidoyl chloride;bis(3-methylcyclobutane-1-carbaldehyde);(3-methylcyclobutyl)methanol;(2S,5R)-2-[5-(3-methylcyclobutyl)-1,2-oxazol-3-yl]-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;methyl 3-methylcyclobutane-1-carboxylate;oxido formate;1,3,5-trichloro-1,3,5-triazinane-2,4,6-trione is C#CC1CC(C)C1.C#CC1CC(C)C1.CC1CC(C=O)C1.CC1CC(C=O)C1.CC1CC(CO)C1.CC1CC(c2cc([C@@H]3CC[C@@H]4CN3C(=O)N4O)no2)C1.CC1CC(c2cc([C@@H]3CC[C@@H]4CN3C(=O)N4OCc3ccccc3)no2)C1.COC(=O)C1CC(C)C1.COP(=O)(OC)C(=[N+]=[N-])C(C)=O.O=C1N2C[C@@H](CC[C@H]2/C(Cl)=N/O)N1OCc1ccccc1.O=C1N2C[C@@H](CC[C@H]2/C=N/O)N1OCc1ccccc1.O=CO[O-].O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl.[AlH3].[H-].[H-].[K+].[K+].[Li+].

What is the InChIKey of lithium;dipotassium;alumane;1-diazo-1-dimethoxyphosphorylpropan-2-one;bis(1-ethynyl-3-methylcyclobutane);hydride;(2S,5R)-2-[(E)-hydroxyiminomethyl]-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;(2S,5R)-6-hydroxy-2-[5-(3-methylcyclobutyl)-1,2-oxazol-3-yl]-1,6-diazabicyclo[3.2.1]octan-7-one;(2Z,2S,5R)-N-hydroxy-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboximidoyl chloride;bis(3-methylcyclobutane-1-carbaldehyde);(3-methylcyclobutyl)methanol;(2S,5R)-2-[5-(3-methylcyclobutyl)-1,2-oxazol-3-yl]-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;methyl 3-methylcyclobutane-1-carboxylate;oxido formate;1,3,5-trichloro-1,3,5-triazinane-2,4,6-trione?

The InChIKey is KABOVBRKALXTDH-DWHKUWLKSA-M. The full InChI is InChI=1S/C21H25N3O3.C14H16ClN3O3.C14H19N3O3.C14H17N3O3.C7H12O2.2C7H10.C6H12O.2C6H10O.C5H9N2O4P.C3Cl3N3O3.CH2O3.Al.2K.Li.5H/c1-14-9-16(10-14)20-11-18(22-27-20)19-8-7-17-12-23(19)21(25)24(17)26-13-15-5-3-2-4-6-15;15-13(16-20)12-7-6-11-8-17(12)14(19)18(11)21-9-10-4-2-1-3-5-10;1-8-4-9(5-8)13-6-11(15-20-13)12-3-2-10-7-16(12)14(18)17(10)19;18-14-16-9-13(7-6-12(16)8-15-19)17(14)20-10-11-4-2-1-3-5-11;1-5-3-6(4-5)7(8)9-2;2*1-3-7-4-6(2)5-7;3*1-5-2-6(3-5)4-7;1-4(8)5(7-6)12(9,10-2)11-3;4-7-1(10)8(5)3(12)9(6)2(7)11;2-1-4-3;;;;;;;;;/h2-6,11,14,16-17,19H,7-10,12-13H2,1H3;1-5,11-12,20H,6-9H2;6,8-10,12,19H,2-5,7H2,1H3;1-5,8,12-13,19H,6-7,9-10H2;5-6H,3-4H2,1-2H3;2*1,6-7H,4-5H2,2H3;5-7H,2-4H2,1H3;2*4-6H,2-3H2,1H3;1-3H3;;1,3H;;;;;;;;;/q;;;;;;;;;;;;;;3*+1;;;;2*-1/p-1/b;16-13-;;15-8+;;;;;;;;;;;;;;;;;;/t14?,16?,17-,19+;11-,12+;8?,9?,10-,12+;12-,13+;;;;;;;;;;;;;;;;;;/m1110................../s1.

What are the key properties of lithium;dipotassium;alumane;1-diazo-1-dimethoxyphosphorylpropan-2-one;bis(1-ethynyl-3-methylcyclobutane);hydride;(2S,5R)-2-[(E)-hydroxyiminomethyl]-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;(2S,5R)-6-hydroxy-2-[5-(3-methylcyclobutyl)-1,2-oxazol-3-yl]-1,6-diazabicyclo[3.2.1]octan-7-one;(2Z,2S,5R)-N-hydroxy-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboximidoyl chloride;bis(3-methylcyclobutane-1-carbaldehyde);(3-methylcyclobutyl)methanol;(2S,5R)-2-[5-(3-methylcyclobutyl)-1,2-oxazol-3-yl]-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;methyl 3-methylcyclobutane-1-carboxylate;oxido formate;1,3,5-trichloro-1,3,5-triazinane-2,4,6-trione?

lithium;dipotassium;alumane;1-diazo-1-dimethoxyphosphorylpropan-2-one;bis(1-ethynyl-3-methylcyclobutane);hydride;(2S,5R)-2-[(E)-hydroxyiminomethyl]-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;(2S,5R)-6-hydroxy-2-[5-(3-methylcyclobutyl)-1,2-oxazol-3-yl]-1,6-diazabicyclo[3.2.1]octan-7-one;(2Z,2S,5R)-N-hydroxy-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboximidoyl chloride;bis(3-methylcyclobutane-1-carbaldehyde);(3-methylcyclobutyl)methanol;(2S,5R)-2-[5-(3-methylcyclobutyl)-1,2-oxazol-3-yl]-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;methyl 3-methylcyclobutane-1-carboxylate;oxido formate;1,3,5-trichloro-1,3,5-triazinane-2,4,6-trione has a molecular weight of 2445.47 g/mol, XLogP of 7.42, 24 rotatable bonds, 4 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;dipotassium;alumane;1-diazo-1-dimethoxyphosphorylpropan-2-one;bis(1-ethynyl-3-methylcyclobutane);hydride;(2S,5R)-2-[(E)-hydroxyiminomethyl]-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;(2S,5R)-6-hydroxy-2-[5-(3-methylcyclobutyl)-1,2-oxazol-3-yl]-1,6-diazabicyclo[3.2.1]octan-7-one;(2Z,2S,5R)-N-hydroxy-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboximidoyl chloride;bis(3-methylcyclobutane-1-carbaldehyde);(3-methylcyclobutyl)methanol;(2S,5R)-2-[5-(3-methylcyclobutyl)-1,2-oxazol-3-yl]-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;methyl 3-methylcyclobutane-1-carboxylate;oxido formate;1,3,5-trichloro-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 172954637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).