ethyl hydrogen phosphate;2-[[2-[2-[[2-[2-[[2-[2-(hydroxymethyl)butoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxymethyl]butoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxymethyl]butoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxymethyl]butyl hydrogen phosphate

C32H72O41P10-10 — CID 159517888

About ethyl hydrogen phosphate;2-[[2-[2-[[2-[2-[[2-[2-(hydroxymethyl)butoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxymethyl]butoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxymethyl]butoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxymethyl]butyl hydrogen phosphate

ethyl hydrogen phosphate;2-[[2-[2-[[2-[2-[[2-[2-(hydroxymethyl)butoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxymethyl]butoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxymethyl]butoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxymethyl]butyl hydrogen phosphate (PubChem CID 159517888) has the molecular formula C32H72O41P10-10 and a molecular weight of 1422.63 g/mol. Its IUPAC name is ethyl hydrogen phosphate;2-[[2-[2-[[2-[2-[[2-[2-(hydroxymethyl)butoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxymethyl]butoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxymethyl]butoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxymethyl]butyl hydrogen phosphate.

Molecular Properties

• Compound Name: ethyl hydrogen phosphate;2-[[2-[2-[[2-[2-[[2-[2-(hydroxymethyl)butoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxymethyl]butoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxymethyl]butoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxymethyl]butyl hydrogen phosphate
• PubChem CID: 159517888
• Molecular Formula: C32H72O41P10-10
• Molecular Weight: 1422.63 g/mol
• Exact Mass: 1422.10
• IUPAC Name: ethyl hydrogen phosphate;2-[[2-[2-[[2-[2-[[2-[2-(hydroxymethyl)butoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxymethyl]butoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxymethyl]butoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxymethyl]butyl hydrogen phosphate
• SMILES: CCC(CO)COP(=O)([O-])OCCOP(=O)([O-])OCC(CC)COP(=O)([O-])OCCOP(=O)([O-])OCC(CC)COP(=O)([O-])OCCOP(=O)([O-])OCC(CC)COP(=O)([O-])O.CCOP(=O)([O-])O.CCOP(=O)([O-])O.CCOP(=O)([O-])O
• InChI: InChI=1S/C26H61O29P7.3C2H7O4P/c1-5-23(15-27)16-50-57(31,32)43-9-10-45-59(35,36)52-19-25(7-3)20-54-61(39,40)47-13-14-48-62(41,42)55-22-26(8-4)21-53-60(37,38)46-12-11-44-58(33,34)51-18-24(6-2)17-49-56(28,29)30;3*1-2-6-7(3,4)5/h23-27H,5-22H2,1-4H3,(H,31,32)(H,33,34)(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H2,28,29,30);3*2H2,1H3,(H2,3,4,5)/p-10
• InChIKey: MBKXZGAKKZJGFL-UHFFFAOYSA-D
• XLogP: -1.98
• TPSA: 650.13 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 37
• Rotatable Bonds: 47
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1422.63
LogP ≤ 5	-1.98
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethyl hydrogen phosphate;2-[[2-[2-[[2-[2-[[2-[2-(hydroxymethyl)butoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxymethyl]butoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxymethyl]butoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxymethyl]butyl hydrogen phosphate?

The IUPAC name of ethyl hydrogen phosphate;2-[[2-[2-[[2-[2-[[2-[2-(hydroxymethyl)butoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxymethyl]butoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxymethyl]butoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxymethyl]butyl hydrogen phosphate (CID 159517888) is ethyl hydrogen phosphate;2-[[2-[2-[[2-[2-[[2-[2-(hydroxymethyl)butoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxymethyl]butoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxymethyl]butoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxymethyl]butyl hydrogen phosphate.

What is the SMILES notation for ethyl hydrogen phosphate;2-[[2-[2-[[2-[2-[[2-[2-(hydroxymethyl)butoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxymethyl]butoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxymethyl]butoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxymethyl]butyl hydrogen phosphate?

The canonical SMILES for ethyl hydrogen phosphate;2-[[2-[2-[[2-[2-[[2-[2-(hydroxymethyl)butoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxymethyl]butoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxymethyl]butoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxymethyl]butyl hydrogen phosphate is CCC(CO)COP(=O)([O-])OCCOP(=O)([O-])OCC(CC)COP(=O)([O-])OCCOP(=O)([O-])OCC(CC)COP(=O)([O-])OCCOP(=O)([O-])OCC(CC)COP(=O)([O-])O.CCOP(=O)([O-])O.CCOP(=O)([O-])O.CCOP(=O)([O-])O.

What is the InChIKey of ethyl hydrogen phosphate;2-[[2-[2-[[2-[2-[[2-[2-(hydroxymethyl)butoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxymethyl]butoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxymethyl]butoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxymethyl]butyl hydrogen phosphate?

The InChIKey is MBKXZGAKKZJGFL-UHFFFAOYSA-D. The full InChI is InChI=1S/C26H61O29P7.3C2H7O4P/c1-5-23(15-27)16-50-57(31,32)43-9-10-45-59(35,36)52-19-25(7-3)20-54-61(39,40)47-13-14-48-62(41,42)55-22-26(8-4)21-53-60(37,38)46-12-11-44-58(33,34)51-18-24(6-2)17-49-56(28,29)30;3*1-2-6-7(3,4)5/h23-27H,5-22H2,1-4H3,(H,31,32)(H,33,34)(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H2,28,29,30);3*2H2,1H3,(H2,3,4,5)/p-10.

What are the key properties of ethyl hydrogen phosphate;2-[[2-[2-[[2-[2-[[2-[2-(hydroxymethyl)butoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxymethyl]butoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxymethyl]butoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxymethyl]butyl hydrogen phosphate?

ethyl hydrogen phosphate;2-[[2-[2-[[2-[2-[[2-[2-(hydroxymethyl)butoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxymethyl]butoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxymethyl]butoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxymethyl]butyl hydrogen phosphate has a molecular weight of 1422.63 g/mol, XLogP of -1.98, 47 rotatable bonds, 5 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl hydrogen phosphate;2-[[2-[2-[[2-[2-[[2-[2-(hydroxymethyl)butoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxymethyl]butoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxymethyl]butoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxymethyl]butyl hydrogen phosphate is sourced from PubChem (CID 159517888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).