sodium;(4S,5R)-4-acetyl-5-methyl-5-phenyl-1,3-oxazolidin-2-one;(2S,3R)-2-amino-3-hydroxy-3-phenylbutan-1-one;(3S,4R)-3-amino-4-hydroxy-4-phenylpentan-2-one;(4S,5R)-5-methyl-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylic acid;hydroxide

C44H52N4NaO12- — CID 159602969

About sodium;(4S,5R)-4-acetyl-5-methyl-5-phenyl-1,3-oxazolidin-2-one;(2S,3R)-2-amino-3-hydroxy-3-phenylbutan-1-one;(3S,4R)-3-amino-4-hydroxy-4-phenylpentan-2-one;(4S,5R)-5-methyl-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylic acid;hydroxide

sodium;(4S,5R)-4-acetyl-5-methyl-5-phenyl-1,3-oxazolidin-2-one;(2S,3R)-2-amino-3-hydroxy-3-phenylbutan-1-one;(3S,4R)-3-amino-4-hydroxy-4-phenylpentan-2-one;(4S,5R)-5-methyl-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylic acid;hydroxide (PubChem CID 159602969) has the molecular formula C44H52N4NaO12- and a molecular weight of 851.91 g/mol. Its IUPAC name is sodium;(4S,5R)-4-acetyl-5-methyl-5-phenyl-1,3-oxazolidin-2-one;(2S,3R)-2-amino-3-hydroxy-3-phenylbutan-1-one;(3S,4R)-3-amino-4-hydroxy-4-phenylpentan-2-one;(4S,5R)-5-methyl-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylic acid;hydroxide.

Molecular Properties

• Compound Name: sodium;(4S,5R)-4-acetyl-5-methyl-5-phenyl-1,3-oxazolidin-2-one;(2S,3R)-2-amino-3-hydroxy-3-phenylbutan-1-one;(3S,4R)-3-amino-4-hydroxy-4-phenylpentan-2-one;(4S,5R)-5-methyl-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylic acid;hydroxide
• PubChem CID: 159602969
• Molecular Formula: C44H52N4NaO12-
• Molecular Weight: 851.91 g/mol
• Exact Mass: 851.35
• IUPAC Name: sodium;(4S,5R)-4-acetyl-5-methyl-5-phenyl-1,3-oxazolidin-2-one;(2S,3R)-2-amino-3-hydroxy-3-phenylbutan-1-one;(3S,4R)-3-amino-4-hydroxy-4-phenylpentan-2-one;(4S,5R)-5-methyl-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylic acid;hydroxide
• SMILES: CC(=O)[C@@H](N)[C@](C)(O)c1ccccc1.CC(=O)[C@H]1NC(=O)O[C@]1(C)c1ccccc1.C[C@@](O)(c1ccccc1)[C@H](N)[C-]=O.C[C@]1(c2ccccc2)OC(=O)N[C@@H]1C(=O)O.[Na+].[OH-]
• InChI: InChI=1S/C12H13NO3.C11H11NO4.C11H15NO2.C10H12NO2.Na.H2O/c1-8(14)10-12(2,16-11(15)13-10)9-6-4-3-5-7-9;1-11(7-5-3-2-4-6-7)8(9(13)14)12-10(15)16-11;1-8(13)10(12)11(2,14)9-6-4-3-5-7-9;1-10(13,9(11)7-12)8-5-3-2-4-6-8;;/h3-7,10H,1-2H3,(H,13,15);2-6,8H,1H3,(H,12,15)(H,13,14);3-7,10,14H,12H2,1-2H3;2-6,9,13H,11H2,1H3;;1H2/q;;;-1;+1;/p-1/t10-,12-;8-,11-;10-,11-;9-,10-;;/m1111../s1
• InChIKey: KYRNRZOCHWYQIM-VFWVPALNSA-M
• XLogP: 0.66
• TPSA: 287.67 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 13
• Rotatable Bonds: 10
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	851.91
LogP ≤ 5	0.66
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of sodium;(4S,5R)-4-acetyl-5-methyl-5-phenyl-1,3-oxazolidin-2-one;(2S,3R)-2-amino-3-hydroxy-3-phenylbutan-1-one;(3S,4R)-3-amino-4-hydroxy-4-phenylpentan-2-one;(4S,5R)-5-methyl-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylic acid;hydroxide?

The IUPAC name of sodium;(4S,5R)-4-acetyl-5-methyl-5-phenyl-1,3-oxazolidin-2-one;(2S,3R)-2-amino-3-hydroxy-3-phenylbutan-1-one;(3S,4R)-3-amino-4-hydroxy-4-phenylpentan-2-one;(4S,5R)-5-methyl-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylic acid;hydroxide (CID 159602969) is sodium;(4S,5R)-4-acetyl-5-methyl-5-phenyl-1,3-oxazolidin-2-one;(2S,3R)-2-amino-3-hydroxy-3-phenylbutan-1-one;(3S,4R)-3-amino-4-hydroxy-4-phenylpentan-2-one;(4S,5R)-5-methyl-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylic acid;hydroxide.

What is the SMILES notation for sodium;(4S,5R)-4-acetyl-5-methyl-5-phenyl-1,3-oxazolidin-2-one;(2S,3R)-2-amino-3-hydroxy-3-phenylbutan-1-one;(3S,4R)-3-amino-4-hydroxy-4-phenylpentan-2-one;(4S,5R)-5-methyl-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylic acid;hydroxide?

The canonical SMILES for sodium;(4S,5R)-4-acetyl-5-methyl-5-phenyl-1,3-oxazolidin-2-one;(2S,3R)-2-amino-3-hydroxy-3-phenylbutan-1-one;(3S,4R)-3-amino-4-hydroxy-4-phenylpentan-2-one;(4S,5R)-5-methyl-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylic acid;hydroxide is CC(=O)[C@@H](N)[C@](C)(O)c1ccccc1.CC(=O)[C@H]1NC(=O)O[C@]1(C)c1ccccc1.C[C@@](O)(c1ccccc1)[C@H](N)[C-]=O.C[C@]1(c2ccccc2)OC(=O)N[C@@H]1C(=O)O.[Na+].[OH-].

What is the InChIKey of sodium;(4S,5R)-4-acetyl-5-methyl-5-phenyl-1,3-oxazolidin-2-one;(2S,3R)-2-amino-3-hydroxy-3-phenylbutan-1-one;(3S,4R)-3-amino-4-hydroxy-4-phenylpentan-2-one;(4S,5R)-5-methyl-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylic acid;hydroxide?

The InChIKey is KYRNRZOCHWYQIM-VFWVPALNSA-M. The full InChI is InChI=1S/C12H13NO3.C11H11NO4.C11H15NO2.C10H12NO2.Na.H2O/c1-8(14)10-12(2,16-11(15)13-10)9-6-4-3-5-7-9;1-11(7-5-3-2-4-6-7)8(9(13)14)12-10(15)16-11;1-8(13)10(12)11(2,14)9-6-4-3-5-7-9;1-10(13,9(11)7-12)8-5-3-2-4-6-8;;/h3-7,10H,1-2H3,(H,13,15);2-6,8H,1H3,(H,12,15)(H,13,14);3-7,10,14H,12H2,1-2H3;2-6,9,13H,11H2,1H3;;1H2/q;;;-1;+1;/p-1/t10-,12-;8-,11-;10-,11-;9-,10-;;/m1111../s1.

What are the key properties of sodium;(4S,5R)-4-acetyl-5-methyl-5-phenyl-1,3-oxazolidin-2-one;(2S,3R)-2-amino-3-hydroxy-3-phenylbutan-1-one;(3S,4R)-3-amino-4-hydroxy-4-phenylpentan-2-one;(4S,5R)-5-methyl-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylic acid;hydroxide?

sodium;(4S,5R)-4-acetyl-5-methyl-5-phenyl-1,3-oxazolidin-2-one;(2S,3R)-2-amino-3-hydroxy-3-phenylbutan-1-one;(3S,4R)-3-amino-4-hydroxy-4-phenylpentan-2-one;(4S,5R)-5-methyl-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylic acid;hydroxide has a molecular weight of 851.91 g/mol, XLogP of 0.66, 10 rotatable bonds, 7 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;(4S,5R)-4-acetyl-5-methyl-5-phenyl-1,3-oxazolidin-2-one;(2S,3R)-2-amino-3-hydroxy-3-phenylbutan-1-one;(3S,4R)-3-amino-4-hydroxy-4-phenylpentan-2-one;(4S,5R)-5-methyl-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylic acid;hydroxide is sourced from PubChem (CID 159602969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).