sodium;3-aminopropane-1,2-diol;1-[2,3-bis(phenylmethoxy)propyl]-2-methyl-3-phenylmethoxypyridin-4-one;1-[2,3-bis(phenylmethoxy)propyl]-4-oxo-3-phenylmethoxypyridine-2-carbaldehyde;1-[2,3-bis(phenylmethoxy)propyl]-4-oxo-3-phenylmethoxypyridine-2-carboxylic acid;1-(2,3-dihydroxypropyl)-2-methyl-3-phenylmethoxypyridin-4-one;hydride;2-methyl-3-phenylmethoxypyran-4-one

C122H130N5NaO24 — CID 162157050

About sodium;3-aminopropane-1,2-diol;1-[2,3-bis(phenylmethoxy)propyl]-2-methyl-3-phenylmethoxypyridin-4-one;1-[2,3-bis(phenylmethoxy)propyl]-4-oxo-3-phenylmethoxypyridine-2-carbaldehyde;1-[2,3-bis(phenylmethoxy)propyl]-4-oxo-3-phenylmethoxypyridine-2-carboxylic acid;1-(2,3-dihydroxypropyl)-2-methyl-3-phenylmethoxypyridin-4-one;hydride;2-methyl-3-phenylmethoxypyran-4-one

sodium;3-aminopropane-1,2-diol;1-[2,3-bis(phenylmethoxy)propyl]-2-methyl-3-phenylmethoxypyridin-4-one;1-[2,3-bis(phenylmethoxy)propyl]-4-oxo-3-phenylmethoxypyridine-2-carbaldehyde;1-[2,3-bis(phenylmethoxy)propyl]-4-oxo-3-phenylmethoxypyridine-2-carboxylic acid;1-(2,3-dihydroxypropyl)-2-methyl-3-phenylmethoxypyridin-4-one;hydride;2-methyl-3-phenylmethoxypyran-4-one (PubChem CID 162157050) has the molecular formula C122H130N5NaO24 and a molecular weight of 2073.38 g/mol. Its IUPAC name is sodium;3-aminopropane-1,2-diol;1-[2,3-bis(phenylmethoxy)propyl]-2-methyl-3-phenylmethoxypyridin-4-one;1-[2,3-bis(phenylmethoxy)propyl]-4-oxo-3-phenylmethoxypyridine-2-carbaldehyde;1-[2,3-bis(phenylmethoxy)propyl]-4-oxo-3-phenylmethoxypyridine-2-carboxylic acid;1-(2,3-dihydroxypropyl)-2-methyl-3-phenylmethoxypyridin-4-one;hydride;2-methyl-3-phenylmethoxypyran-4-one.

Molecular Properties

• Compound Name: sodium;3-aminopropane-1,2-diol;1-[2,3-bis(phenylmethoxy)propyl]-2-methyl-3-phenylmethoxypyridin-4-one;1-[2,3-bis(phenylmethoxy)propyl]-4-oxo-3-phenylmethoxypyridine-2-carbaldehyde;1-[2,3-bis(phenylmethoxy)propyl]-4-oxo-3-phenylmethoxypyridine-2-carboxylic acid;1-(2,3-dihydroxypropyl)-2-methyl-3-phenylmethoxypyridin-4-one;hydride;2-methyl-3-phenylmethoxypyran-4-one
• PubChem CID: 162157050
• Molecular Formula: C122H130N5NaO24
• Molecular Weight: 2073.38 g/mol
• Exact Mass: 2071.90
• IUPAC Name: sodium;3-aminopropane-1,2-diol;1-[2,3-bis(phenylmethoxy)propyl]-2-methyl-3-phenylmethoxypyridin-4-one;1-[2,3-bis(phenylmethoxy)propyl]-4-oxo-3-phenylmethoxypyridine-2-carbaldehyde;1-[2,3-bis(phenylmethoxy)propyl]-4-oxo-3-phenylmethoxypyridine-2-carboxylic acid;1-(2,3-dihydroxypropyl)-2-methyl-3-phenylmethoxypyridin-4-one;hydride;2-methyl-3-phenylmethoxypyran-4-one
• SMILES: Cc1c(OCc2ccccc2)c(=O)ccn1CC(COCc1ccccc1)OCc1ccccc1.Cc1c(OCc2ccccc2)c(=O)ccn1CC(O)CO.Cc1occc(=O)c1OCc1ccccc1.NCC(O)CO.O=C(O)c1c(OCc2ccccc2)c(=O)ccn1CC(COCc1ccccc1)OCc1ccccc1.O=Cc1c(OCc2ccccc2)c(=O)ccn1CC(COCc1ccccc1)OCc1ccccc1.[H-].[Na+]
• InChI: InChI=1S/C30H29NO6.C30H29NO5.C30H31NO4.C16H19NO4.C13H12O3.C3H9NO2.Na.H/c32-27-16-17-31(28(30(33)34)29(27)37-21-25-14-8-3-9-15-25)18-26(36-20-24-12-6-2-7-13-24)22-35-19-23-10-4-1-5-11-23;32-19-28-30(36-22-26-14-8-3-9-15-26)29(33)16-17-31(28)18-27(35-21-25-12-6-2-7-13-25)23-34-20-24-10-4-1-5-11-24;1-24-30(35-22-27-15-9-4-10-16-27)29(32)17-18-31(24)19-28(34-21-26-13-7-3-8-14-26)23-33-20-25-11-5-2-6-12-25;1-12-16(21-11-13-5-3-2-4-6-13)15(20)7-8-17(12)9-14(19)10-18;1-10-13(12(14)7-8-15-10)16-9-11-5-3-2-4-6-11;4-1-3(6)2-5;;/h1-17,26H,18-22H2,(H,33,34);1-17,19,27H,18,20-23H2;2-18,28H,19-23H2,1H3;2-8,14,18-19H,9-11H2,1H3;2-8H,9H2,1H3;3,5-6H,1-2,4H2;;/q;;;;;;+1;-1
• InChIKey: CQJRULLZQGJIQX-UHFFFAOYSA-N
• XLogP: 14.54
• TPSA: 381.05 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 28
• Rotatable Bonds: 49
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2073.38
LogP ≤ 5	14.54
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of sodium;3-aminopropane-1,2-diol;1-[2,3-bis(phenylmethoxy)propyl]-2-methyl-3-phenylmethoxypyridin-4-one;1-[2,3-bis(phenylmethoxy)propyl]-4-oxo-3-phenylmethoxypyridine-2-carbaldehyde;1-[2,3-bis(phenylmethoxy)propyl]-4-oxo-3-phenylmethoxypyridine-2-carboxylic acid;1-(2,3-dihydroxypropyl)-2-methyl-3-phenylmethoxypyridin-4-one;hydride;2-methyl-3-phenylmethoxypyran-4-one?

The IUPAC name of sodium;3-aminopropane-1,2-diol;1-[2,3-bis(phenylmethoxy)propyl]-2-methyl-3-phenylmethoxypyridin-4-one;1-[2,3-bis(phenylmethoxy)propyl]-4-oxo-3-phenylmethoxypyridine-2-carbaldehyde;1-[2,3-bis(phenylmethoxy)propyl]-4-oxo-3-phenylmethoxypyridine-2-carboxylic acid;1-(2,3-dihydroxypropyl)-2-methyl-3-phenylmethoxypyridin-4-one;hydride;2-methyl-3-phenylmethoxypyran-4-one (CID 162157050) is sodium;3-aminopropane-1,2-diol;1-[2,3-bis(phenylmethoxy)propyl]-2-methyl-3-phenylmethoxypyridin-4-one;1-[2,3-bis(phenylmethoxy)propyl]-4-oxo-3-phenylmethoxypyridine-2-carbaldehyde;1-[2,3-bis(phenylmethoxy)propyl]-4-oxo-3-phenylmethoxypyridine-2-carboxylic acid;1-(2,3-dihydroxypropyl)-2-methyl-3-phenylmethoxypyridin-4-one;hydride;2-methyl-3-phenylmethoxypyran-4-one.

What is the SMILES notation for sodium;3-aminopropane-1,2-diol;1-[2,3-bis(phenylmethoxy)propyl]-2-methyl-3-phenylmethoxypyridin-4-one;1-[2,3-bis(phenylmethoxy)propyl]-4-oxo-3-phenylmethoxypyridine-2-carbaldehyde;1-[2,3-bis(phenylmethoxy)propyl]-4-oxo-3-phenylmethoxypyridine-2-carboxylic acid;1-(2,3-dihydroxypropyl)-2-methyl-3-phenylmethoxypyridin-4-one;hydride;2-methyl-3-phenylmethoxypyran-4-one?

The canonical SMILES for sodium;3-aminopropane-1,2-diol;1-[2,3-bis(phenylmethoxy)propyl]-2-methyl-3-phenylmethoxypyridin-4-one;1-[2,3-bis(phenylmethoxy)propyl]-4-oxo-3-phenylmethoxypyridine-2-carbaldehyde;1-[2,3-bis(phenylmethoxy)propyl]-4-oxo-3-phenylmethoxypyridine-2-carboxylic acid;1-(2,3-dihydroxypropyl)-2-methyl-3-phenylmethoxypyridin-4-one;hydride;2-methyl-3-phenylmethoxypyran-4-one is Cc1c(OCc2ccccc2)c(=O)ccn1CC(COCc1ccccc1)OCc1ccccc1.Cc1c(OCc2ccccc2)c(=O)ccn1CC(O)CO.Cc1occc(=O)c1OCc1ccccc1.NCC(O)CO.O=C(O)c1c(OCc2ccccc2)c(=O)ccn1CC(COCc1ccccc1)OCc1ccccc1.O=Cc1c(OCc2ccccc2)c(=O)ccn1CC(COCc1ccccc1)OCc1ccccc1.[H-].[Na+].

What is the InChIKey of sodium;3-aminopropane-1,2-diol;1-[2,3-bis(phenylmethoxy)propyl]-2-methyl-3-phenylmethoxypyridin-4-one;1-[2,3-bis(phenylmethoxy)propyl]-4-oxo-3-phenylmethoxypyridine-2-carbaldehyde;1-[2,3-bis(phenylmethoxy)propyl]-4-oxo-3-phenylmethoxypyridine-2-carboxylic acid;1-(2,3-dihydroxypropyl)-2-methyl-3-phenylmethoxypyridin-4-one;hydride;2-methyl-3-phenylmethoxypyran-4-one?

The InChIKey is CQJRULLZQGJIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29NO6.C30H29NO5.C30H31NO4.C16H19NO4.C13H12O3.C3H9NO2.Na.H/c32-27-16-17-31(28(30(33)34)29(27)37-21-25-14-8-3-9-15-25)18-26(36-20-24-12-6-2-7-13-24)22-35-19-23-10-4-1-5-11-23;32-19-28-30(36-22-26-14-8-3-9-15-26)29(33)16-17-31(28)18-27(35-21-25-12-6-2-7-13-25)23-34-20-24-10-4-1-5-11-24;1-24-30(35-22-27-15-9-4-10-16-27)29(32)17-18-31(24)19-28(34-21-26-13-7-3-8-14-26)23-33-20-25-11-5-2-6-12-25;1-12-16(21-11-13-5-3-2-4-6-13)15(20)7-8-17(12)9-14(19)10-18;1-10-13(12(14)7-8-15-10)16-9-11-5-3-2-4-6-11;4-1-3(6)2-5;;/h1-17,26H,18-22H2,(H,33,34);1-17,19,27H,18,20-23H2;2-18,28H,19-23H2,1H3;2-8,14,18-19H,9-11H2,1H3;2-8H,9H2,1H3;3,5-6H,1-2,4H2;;/q;;;;;;+1;-1.

What are the key properties of sodium;3-aminopropane-1,2-diol;1-[2,3-bis(phenylmethoxy)propyl]-2-methyl-3-phenylmethoxypyridin-4-one;1-[2,3-bis(phenylmethoxy)propyl]-4-oxo-3-phenylmethoxypyridine-2-carbaldehyde;1-[2,3-bis(phenylmethoxy)propyl]-4-oxo-3-phenylmethoxypyridine-2-carboxylic acid;1-(2,3-dihydroxypropyl)-2-methyl-3-phenylmethoxypyridin-4-one;hydride;2-methyl-3-phenylmethoxypyran-4-one?

sodium;3-aminopropane-1,2-diol;1-[2,3-bis(phenylmethoxy)propyl]-2-methyl-3-phenylmethoxypyridin-4-one;1-[2,3-bis(phenylmethoxy)propyl]-4-oxo-3-phenylmethoxypyridine-2-carbaldehyde;1-[2,3-bis(phenylmethoxy)propyl]-4-oxo-3-phenylmethoxypyridine-2-carboxylic acid;1-(2,3-dihydroxypropyl)-2-methyl-3-phenylmethoxypyridin-4-one;hydride;2-methyl-3-phenylmethoxypyran-4-one has a molecular weight of 2073.38 g/mol, XLogP of 14.54, 49 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;3-aminopropane-1,2-diol;1-[2,3-bis(phenylmethoxy)propyl]-2-methyl-3-phenylmethoxypyridin-4-one;1-[2,3-bis(phenylmethoxy)propyl]-4-oxo-3-phenylmethoxypyridine-2-carbaldehyde;1-[2,3-bis(phenylmethoxy)propyl]-4-oxo-3-phenylmethoxypyridine-2-carboxylic acid;1-(2,3-dihydroxypropyl)-2-methyl-3-phenylmethoxypyridin-4-one;hydride;2-methyl-3-phenylmethoxypyran-4-one is sourced from PubChem (CID 162157050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).