trisodium;[(3R,4S)-2-acetyloxy-5-ethyl-4-methyl-5-(methylsulfonyloxymethyl)oxolan-3-yl] acetate;[(2R,3R,4S)-2-(2-amino-6-chloropurin-9-yl)-5-ethyl-4-methyl-5-(methylsulfonyloxymethyl)oxolan-3-yl] acetate;[(1S,3R,4R,7S)-3-(2-amino-6-ethoxypurin-9-yl)-7-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methanol;[(1R,3R,4R,7S)-3-(2-amino-6-ethoxypurin-9-yl)-7-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methyl benzoate;[(1R,3R,4R,7S)-3-(2-amino-6-ethoxypurin-9-yl)-7-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methyl methanesulfonate;6-chloro-7H-purin-2-amine;dichlorophosphorylmethane;ethanolate;methane;propan-2-yl (2R)-2-aminopropanoate;benzoate;hydroxide;hydrochloride

C110H179Cl5N26Na3O36PS3 — CID 159160959

About trisodium;[(3R,4S)-2-acetyloxy-5-ethyl-4-methyl-5-(methylsulfonyloxymethyl)oxolan-3-yl] acetate;[(2R,3R,4S)-2-(2-amino-6-chloropurin-9-yl)-5-ethyl-4-methyl-5-(methylsulfonyloxymethyl)oxolan-3-yl] acetate;[(1S,3R,4R,7S)-3-(2-amino-6-ethoxypurin-9-yl)-7-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methanol;[(1R,3R,4R,7S)-3-(2-amino-6-ethoxypurin-9-yl)-7-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methyl benzoate;[(1R,3R,4R,7S)-3-(2-amino-6-ethoxypurin-9-yl)-7-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methyl methanesulfonate;6-chloro-7H-purin-2-amine;dichlorophosphorylmethane;ethanolate;methane;propan-2-yl (2R)-2-aminopropanoate;benzoate;hydroxide;hydrochloride

trisodium;[(3R,4S)-2-acetyloxy-5-ethyl-4-methyl-5-(methylsulfonyloxymethyl)oxolan-3-yl] acetate;[(2R,3R,4S)-2-(2-amino-6-chloropurin-9-yl)-5-ethyl-4-methyl-5-(methylsulfonyloxymethyl)oxolan-3-yl] acetate;[(1S,3R,4R,7S)-3-(2-amino-6-ethoxypurin-9-yl)-7-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methanol;[(1R,3R,4R,7S)-3-(2-amino-6-ethoxypurin-9-yl)-7-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methyl benzoate;[(1R,3R,4R,7S)-3-(2-amino-6-ethoxypurin-9-yl)-7-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methyl methanesulfonate;6-chloro-7H-purin-2-amine;dichlorophosphorylmethane;ethanolate;methane;propan-2-yl (2R)-2-aminopropanoate;benzoate;hydroxide;hydrochloride (PubChem CID 159160959) has the molecular formula C110H179Cl5N26Na3O36PS3 and a molecular weight of 2815.20 g/mol. Its IUPAC name is trisodium;[(3R,4S)-2-acetyloxy-5-ethyl-4-methyl-5-(methylsulfonyloxymethyl)oxolan-3-yl] acetate;[(2R,3R,4S)-2-(2-amino-6-chloropurin-9-yl)-5-ethyl-4-methyl-5-(methylsulfonyloxymethyl)oxolan-3-yl] acetate;[(1S,3R,4R,7S)-3-(2-amino-6-ethoxypurin-9-yl)-7-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methanol;[(1R,3R,4R,7S)-3-(2-amino-6-ethoxypurin-9-yl)-7-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methyl benzoate;[(1R,3R,4R,7S)-3-(2-amino-6-ethoxypurin-9-yl)-7-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methyl methanesulfonate;6-chloro-7H-purin-2-amine;dichlorophosphorylmethane;ethanolate;methane;propan-2-yl (2R)-2-aminopropanoate;benzoate;hydroxide;hydrochloride.

Molecular Properties

• Compound Name: trisodium;[(3R,4S)-2-acetyloxy-5-ethyl-4-methyl-5-(methylsulfonyloxymethyl)oxolan-3-yl] acetate;[(2R,3R,4S)-2-(2-amino-6-chloropurin-9-yl)-5-ethyl-4-methyl-5-(methylsulfonyloxymethyl)oxolan-3-yl] acetate;[(1S,3R,4R,7S)-3-(2-amino-6-ethoxypurin-9-yl)-7-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methanol;[(1R,3R,4R,7S)-3-(2-amino-6-ethoxypurin-9-yl)-7-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methyl benzoate;[(1R,3R,4R,7S)-3-(2-amino-6-ethoxypurin-9-yl)-7-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methyl methanesulfonate;6-chloro-7H-purin-2-amine;dichlorophosphorylmethane;ethanolate;methane;propan-2-yl (2R)-2-aminopropanoate;benzoate;hydroxide;hydrochloride
• PubChem CID: 159160959
• Molecular Formula: C110H179Cl5N26Na3O36PS3
• Molecular Weight: 2815.20 g/mol
• Exact Mass: 2811.00
• IUPAC Name: trisodium;[(3R,4S)-2-acetyloxy-5-ethyl-4-methyl-5-(methylsulfonyloxymethyl)oxolan-3-yl] acetate;[(2R,3R,4S)-2-(2-amino-6-chloropurin-9-yl)-5-ethyl-4-methyl-5-(methylsulfonyloxymethyl)oxolan-3-yl] acetate;[(1S,3R,4R,7S)-3-(2-amino-6-ethoxypurin-9-yl)-7-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methanol;[(1R,3R,4R,7S)-3-(2-amino-6-ethoxypurin-9-yl)-7-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methyl benzoate;[(1R,3R,4R,7S)-3-(2-amino-6-ethoxypurin-9-yl)-7-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methyl methanesulfonate;6-chloro-7H-purin-2-amine;dichlorophosphorylmethane;ethanolate;methane;propan-2-yl (2R)-2-aminopropanoate;benzoate;hydroxide;hydrochloride
• SMILES: C.C.C.C.C.C.C.C.C.C.CC(C)OC(=O)[C@@H](C)N.CCC1(COS(C)(=O)=O)OC(OC(C)=O)[C@H](OC(C)=O)[C@@H]1C.CCC1(COS(C)(=O)=O)O[C@@H](n2cnc3c(Cl)nc(N)nc32)[C@H](OC(C)=O)[C@@H]1C.CCOc1nc(N)nc2c1ncn2[C@@H]1O[C@@]2(CO)CO[C@@H]1[C@@H]2C.CCOc1nc(N)nc2c1ncn2[C@@H]1O[C@@]2(COC(=O)c3ccccc3)CO[C@@H]1[C@@H]2C.CCOc1nc(N)nc2c1ncn2[C@@H]1O[C@@]2(COS(C)(=O)=O)CO[C@@H]1[C@@H]2C.CC[O-].CP(=O)(Cl)Cl.Cl.Nc1nc(Cl)c2[nH]cnc2n1.O=C([O-])c1ccccc1.[Na+].[Na+].[Na+].[OH-]
• InChI: InChI=1S/C21H23N5O5.C16H22ClN5O6S.C15H21N5O6S.C14H19N5O4.C13H22O8S.C7H6O2.C6H13NO2.C5H4ClN5.C2H5O.CH3Cl2OP.10CH4.ClH.3Na.H2O/c1-3-28-17-14-16(24-20(22)25-17)26(11-23-14)18-15-12(2)21(31-18,9-29-15)10-30-19(27)13-7-5-4-6-8-13;1-5-16(6-26-29(4,24)25)8(2)11(27-9(3)23)14(28-16)22-7-19-10-12(17)20-15(18)21-13(10)22;1-4-23-12-9-11(18-14(16)19-12)20(7-17-9)13-10-8(2)15(26-13,5-24-10)6-25-27(3,21)22;1-3-21-11-8-10(17-13(15)18-11)19(6-16-8)12-9-7(2)14(4-20,23-12)5-22-9;1-6-13(7-18-22(5,16)17)8(2)11(19-9(3)14)12(21-13)20-10(4)15;8-7(9)6-4-2-1-3-5-6;1-4(2)9-6(8)5(3)7;6-3-2-4(9-1-8-2)11-5(7)10-3;1-2-3;1-5(2,3)4;;;;;;;;;;;;;;;/h4-8,11-12,15,18H,3,9-10H2,1-2H3,(H2,22,24,25);7-8,11,14H,5-6H2,1-4H3,(H2,18,20,21);7-8,10,13H,4-6H2,1-3H3,(H2,16,18,19);6-7,9,12,20H,3-5H2,1-2H3,(H2,15,17,18);8,11-12H,6-7H2,1-5H3;1-5H,(H,8,9);4-5H,7H2,1-3H3;1H,(H3,7,8,9,10,11);2H2,1H3;1H3;10*1H4;1H;;;;1H2/q;;;;;;;;-1;;;;;;;;;;;;;3*+1;/p-2/t12-,15+,18+,21+;8-,11+,14+,16?;8-,10+,13+,15+;7-,9+,12+,14-;8-,11+,12?,13?;;5-;;;;;;;;;;;;;;;;;;/m00000.1................../s1
• InChIKey: IZGVZCDRPXOENX-CPWZYPKISA-L
• XLogP: 4.23
• TPSA: 878.61 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 61
• Rotatable Bonds: 31
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2815.20
LogP ≤ 5	4.23
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	61

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of trisodium;[(3R,4S)-2-acetyloxy-5-ethyl-4-methyl-5-(methylsulfonyloxymethyl)oxolan-3-yl] acetate;[(2R,3R,4S)-2-(2-amino-6-chloropurin-9-yl)-5-ethyl-4-methyl-5-(methylsulfonyloxymethyl)oxolan-3-yl] acetate;[(1S,3R,4R,7S)-3-(2-amino-6-ethoxypurin-9-yl)-7-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methanol;[(1R,3R,4R,7S)-3-(2-amino-6-ethoxypurin-9-yl)-7-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methyl benzoate;[(1R,3R,4R,7S)-3-(2-amino-6-ethoxypurin-9-yl)-7-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methyl methanesulfonate;6-chloro-7H-purin-2-amine;dichlorophosphorylmethane;ethanolate;methane;propan-2-yl (2R)-2-aminopropanoate;benzoate;hydroxide;hydrochloride?

The IUPAC name of trisodium;[(3R,4S)-2-acetyloxy-5-ethyl-4-methyl-5-(methylsulfonyloxymethyl)oxolan-3-yl] acetate;[(2R,3R,4S)-2-(2-amino-6-chloropurin-9-yl)-5-ethyl-4-methyl-5-(methylsulfonyloxymethyl)oxolan-3-yl] acetate;[(1S,3R,4R,7S)-3-(2-amino-6-ethoxypurin-9-yl)-7-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methanol;[(1R,3R,4R,7S)-3-(2-amino-6-ethoxypurin-9-yl)-7-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methyl benzoate;[(1R,3R,4R,7S)-3-(2-amino-6-ethoxypurin-9-yl)-7-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methyl methanesulfonate;6-chloro-7H-purin-2-amine;dichlorophosphorylmethane;ethanolate;methane;propan-2-yl (2R)-2-aminopropanoate;benzoate;hydroxide;hydrochloride (CID 159160959) is trisodium;[(3R,4S)-2-acetyloxy-5-ethyl-4-methyl-5-(methylsulfonyloxymethyl)oxolan-3-yl] acetate;[(2R,3R,4S)-2-(2-amino-6-chloropurin-9-yl)-5-ethyl-4-methyl-5-(methylsulfonyloxymethyl)oxolan-3-yl] acetate;[(1S,3R,4R,7S)-3-(2-amino-6-ethoxypurin-9-yl)-7-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methanol;[(1R,3R,4R,7S)-3-(2-amino-6-ethoxypurin-9-yl)-7-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methyl benzoate;[(1R,3R,4R,7S)-3-(2-amino-6-ethoxypurin-9-yl)-7-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methyl methanesulfonate;6-chloro-7H-purin-2-amine;dichlorophosphorylmethane;ethanolate;methane;propan-2-yl (2R)-2-aminopropanoate;benzoate;hydroxide;hydrochloride.

What is the SMILES notation for trisodium;[(3R,4S)-2-acetyloxy-5-ethyl-4-methyl-5-(methylsulfonyloxymethyl)oxolan-3-yl] acetate;[(2R,3R,4S)-2-(2-amino-6-chloropurin-9-yl)-5-ethyl-4-methyl-5-(methylsulfonyloxymethyl)oxolan-3-yl] acetate;[(1S,3R,4R,7S)-3-(2-amino-6-ethoxypurin-9-yl)-7-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methanol;[(1R,3R,4R,7S)-3-(2-amino-6-ethoxypurin-9-yl)-7-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methyl benzoate;[(1R,3R,4R,7S)-3-(2-amino-6-ethoxypurin-9-yl)-7-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methyl methanesulfonate;6-chloro-7H-purin-2-amine;dichlorophosphorylmethane;ethanolate;methane;propan-2-yl (2R)-2-aminopropanoate;benzoate;hydroxide;hydrochloride?

The canonical SMILES for trisodium;[(3R,4S)-2-acetyloxy-5-ethyl-4-methyl-5-(methylsulfonyloxymethyl)oxolan-3-yl] acetate;[(2R,3R,4S)-2-(2-amino-6-chloropurin-9-yl)-5-ethyl-4-methyl-5-(methylsulfonyloxymethyl)oxolan-3-yl] acetate;[(1S,3R,4R,7S)-3-(2-amino-6-ethoxypurin-9-yl)-7-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methanol;[(1R,3R,4R,7S)-3-(2-amino-6-ethoxypurin-9-yl)-7-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methyl benzoate;[(1R,3R,4R,7S)-3-(2-amino-6-ethoxypurin-9-yl)-7-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methyl methanesulfonate;6-chloro-7H-purin-2-amine;dichlorophosphorylmethane;ethanolate;methane;propan-2-yl (2R)-2-aminopropanoate;benzoate;hydroxide;hydrochloride is C.C.C.C.C.C.C.C.C.C.CC(C)OC(=O)[C@@H](C)N.CCC1(COS(C)(=O)=O)OC(OC(C)=O)[C@H](OC(C)=O)[C@@H]1C.CCC1(COS(C)(=O)=O)O[C@@H](n2cnc3c(Cl)nc(N)nc32)[C@H](OC(C)=O)[C@@H]1C.CCOc1nc(N)nc2c1ncn2[C@@H]1O[C@@]2(CO)CO[C@@H]1[C@@H]2C.CCOc1nc(N)nc2c1ncn2[C@@H]1O[C@@]2(COC(=O)c3ccccc3)CO[C@@H]1[C@@H]2C.CCOc1nc(N)nc2c1ncn2[C@@H]1O[C@@]2(COS(C)(=O)=O)CO[C@@H]1[C@@H]2C.CC[O-].CP(=O)(Cl)Cl.Cl.Nc1nc(Cl)c2[nH]cnc2n1.O=C([O-])c1ccccc1.[Na+].[Na+].[Na+].[OH-].

What is the InChIKey of trisodium;[(3R,4S)-2-acetyloxy-5-ethyl-4-methyl-5-(methylsulfonyloxymethyl)oxolan-3-yl] acetate;[(2R,3R,4S)-2-(2-amino-6-chloropurin-9-yl)-5-ethyl-4-methyl-5-(methylsulfonyloxymethyl)oxolan-3-yl] acetate;[(1S,3R,4R,7S)-3-(2-amino-6-ethoxypurin-9-yl)-7-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methanol;[(1R,3R,4R,7S)-3-(2-amino-6-ethoxypurin-9-yl)-7-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methyl benzoate;[(1R,3R,4R,7S)-3-(2-amino-6-ethoxypurin-9-yl)-7-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methyl methanesulfonate;6-chloro-7H-purin-2-amine;dichlorophosphorylmethane;ethanolate;methane;propan-2-yl (2R)-2-aminopropanoate;benzoate;hydroxide;hydrochloride?

The InChIKey is IZGVZCDRPXOENX-CPWZYPKISA-L. The full InChI is InChI=1S/C21H23N5O5.C16H22ClN5O6S.C15H21N5O6S.C14H19N5O4.C13H22O8S.C7H6O2.C6H13NO2.C5H4ClN5.C2H5O.CH3Cl2OP.10CH4.ClH.3Na.H2O/c1-3-28-17-14-16(24-20(22)25-17)26(11-23-14)18-15-12(2)21(31-18,9-29-15)10-30-19(27)13-7-5-4-6-8-13;1-5-16(6-26-29(4,24)25)8(2)11(27-9(3)23)14(28-16)22-7-19-10-12(17)20-15(18)21-13(10)22;1-4-23-12-9-11(18-14(16)19-12)20(7-17-9)13-10-8(2)15(26-13,5-24-10)6-25-27(3,21)22;1-3-21-11-8-10(17-13(15)18-11)19(6-16-8)12-9-7(2)14(4-20,23-12)5-22-9;1-6-13(7-18-22(5,16)17)8(2)11(19-9(3)14)12(21-13)20-10(4)15;8-7(9)6-4-2-1-3-5-6;1-4(2)9-6(8)5(3)7;6-3-2-4(9-1-8-2)11-5(7)10-3;1-2-3;1-5(2,3)4;;;;;;;;;;;;;;;/h4-8,11-12,15,18H,3,9-10H2,1-2H3,(H2,22,24,25);7-8,11,14H,5-6H2,1-4H3,(H2,18,20,21);7-8,10,13H,4-6H2,1-3H3,(H2,16,18,19);6-7,9,12,20H,3-5H2,1-2H3,(H2,15,17,18);8,11-12H,6-7H2,1-5H3;1-5H,(H,8,9);4-5H,7H2,1-3H3;1H,(H3,7,8,9,10,11);2H2,1H3;1H3;10*1H4;1H;;;;1H2/q;;;;;;;;-1;;;;;;;;;;;;;3*+1;/p-2/t12-,15+,18+,21+;8-,11+,14+,16?;8-,10+,13+,15+;7-,9+,12+,14-;8-,11+,12?,13?;;5-;;;;;;;;;;;;;;;;;;/m00000.1................../s1.

What are the key properties of trisodium;[(3R,4S)-2-acetyloxy-5-ethyl-4-methyl-5-(methylsulfonyloxymethyl)oxolan-3-yl] acetate;[(2R,3R,4S)-2-(2-amino-6-chloropurin-9-yl)-5-ethyl-4-methyl-5-(methylsulfonyloxymethyl)oxolan-3-yl] acetate;[(1S,3R,4R,7S)-3-(2-amino-6-ethoxypurin-9-yl)-7-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methanol;[(1R,3R,4R,7S)-3-(2-amino-6-ethoxypurin-9-yl)-7-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methyl benzoate;[(1R,3R,4R,7S)-3-(2-amino-6-ethoxypurin-9-yl)-7-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methyl methanesulfonate;6-chloro-7H-purin-2-amine;dichlorophosphorylmethane;ethanolate;methane;propan-2-yl (2R)-2-aminopropanoate;benzoate;hydroxide;hydrochloride?

trisodium;[(3R,4S)-2-acetyloxy-5-ethyl-4-methyl-5-(methylsulfonyloxymethyl)oxolan-3-yl] acetate;[(2R,3R,4S)-2-(2-amino-6-chloropurin-9-yl)-5-ethyl-4-methyl-5-(methylsulfonyloxymethyl)oxolan-3-yl] acetate;[(1S,3R,4R,7S)-3-(2-amino-6-ethoxypurin-9-yl)-7-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methanol;[(1R,3R,4R,7S)-3-(2-amino-6-ethoxypurin-9-yl)-7-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methyl benzoate;[(1R,3R,4R,7S)-3-(2-amino-6-ethoxypurin-9-yl)-7-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methyl methanesulfonate;6-chloro-7H-purin-2-amine;dichlorophosphorylmethane;ethanolate;methane;propan-2-yl (2R)-2-aminopropanoate;benzoate;hydroxide;hydrochloride has a molecular weight of 2815.20 g/mol, XLogP of 4.23, 31 rotatable bonds, 8 hydrogen bond donors, and 61 hydrogen bond acceptors.

Where does this data come from?

All data for trisodium;[(3R,4S)-2-acetyloxy-5-ethyl-4-methyl-5-(methylsulfonyloxymethyl)oxolan-3-yl] acetate;[(2R,3R,4S)-2-(2-amino-6-chloropurin-9-yl)-5-ethyl-4-methyl-5-(methylsulfonyloxymethyl)oxolan-3-yl] acetate;[(1S,3R,4R,7S)-3-(2-amino-6-ethoxypurin-9-yl)-7-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methanol;[(1R,3R,4R,7S)-3-(2-amino-6-ethoxypurin-9-yl)-7-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methyl benzoate;[(1R,3R,4R,7S)-3-(2-amino-6-ethoxypurin-9-yl)-7-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methyl methanesulfonate;6-chloro-7H-purin-2-amine;dichlorophosphorylmethane;ethanolate;methane;propan-2-yl (2R)-2-aminopropanoate;benzoate;hydroxide;hydrochloride is sourced from PubChem (CID 159160959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).