sodium 2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethyl hydrogen phosphate

C10H18NaO8P — CID 122613092

About sodium 2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethyl hydrogen phosphate

sodium 2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethyl hydrogen phosphate (PubChem CID 122613092) has the molecular formula C10H18NaO8P and a molecular weight of 320.21 g/mol. Its IUPAC name is sodium 2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethyl hydrogen phosphate.

Molecular Properties

• Compound Name: sodium 2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethyl hydrogen phosphate
• PubChem CID: 122613092
• Molecular Formula: C10H18NaO8P
• Molecular Weight: 320.21 g/mol
• Exact Mass: 320.06
• IUPAC Name: sodium 2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethyl hydrogen phosphate
• SMILES: C=C(C)C(=O)OCCOCCOCCOP(=O)([O-])O.[Na+]
• InChI: InChI=1S/C10H19O8P.Na/c1-9(2)10(11)17-7-5-15-3-4-16-6-8-18-19(12,13)14;/h1,3-8H2,2H3,(H2,12,13,14);/q;+1/p-1
• InChIKey: LVIYIEDQQUQPQH-UHFFFAOYSA-M
• XLogP: -3.38
• TPSA: 114.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	320.21
LogP ≤ 5	-3.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium 2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethyl hydrogen phosphate?

The IUPAC name of sodium 2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethyl hydrogen phosphate (CID 122613092) is sodium 2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethyl hydrogen phosphate.

What is the SMILES notation for sodium 2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethyl hydrogen phosphate?

The canonical SMILES for sodium 2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethyl hydrogen phosphate is C=C(C)C(=O)OCCOCCOCCOP(=O)([O-])O.[Na+].

What is the InChIKey of sodium 2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethyl hydrogen phosphate?

The InChIKey is LVIYIEDQQUQPQH-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H19O8P.Na/c1-9(2)10(11)17-7-5-15-3-4-16-6-8-18-19(12,13)14;/h1,3-8H2,2H3,(H2,12,13,14);/q;+1/p-1.

What are the key properties of sodium 2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethyl hydrogen phosphate?

sodium 2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethyl hydrogen phosphate has a molecular weight of 320.21 g/mol, XLogP of -3.38, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for sodium 2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethyl hydrogen phosphate is sourced from PubChem (CID 122613092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).