octakis(2-[[ethoxy(oxido)phosphoryl]oxymethyl]butyl hydrogen phosphate);2-[[2-[2-[2-[2-[2-[2-[2-[2-(hydroxymethyl)butoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxymethyl]butyl hydrogen phosphate

C80H178O101P25-25 — CID 158353857

About octakis(2-[[ethoxy(oxido)phosphoryl]oxymethyl]butyl hydrogen phosphate);2-[[2-[2-[2-[2-[2-[2-[2-[2-(hydroxymethyl)butoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxymethyl]butyl hydrogen phosphate

octakis(2-[[ethoxy(oxido)phosphoryl]oxymethyl]butyl hydrogen phosphate);2-[[2-[2-[2-[2-[2-[2-[2-[2-(hydroxymethyl)butoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxymethyl]butyl hydrogen phosphate (PubChem CID 158353857) has the molecular formula C80H178O101P25-25 and a molecular weight of 3530.55 g/mol. Its IUPAC name is octakis(2-[[ethoxy(oxido)phosphoryl]oxymethyl]butyl hydrogen phosphate);2-[[2-[2-[2-[2-[2-[2-[2-[2-(hydroxymethyl)butoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxymethyl]butyl hydrogen phosphate.

Molecular Properties

• Compound Name: octakis(2-[[ethoxy(oxido)phosphoryl]oxymethyl]butyl hydrogen phosphate);2-[[2-[2-[2-[2-[2-[2-[2-[2-(hydroxymethyl)butoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxymethyl]butyl hydrogen phosphate
• PubChem CID: 158353857
• Molecular Formula: C80H178O101P25-25
• Molecular Weight: 3530.55 g/mol
• Exact Mass: 3529.24
• IUPAC Name: octakis(2-[[ethoxy(oxido)phosphoryl]oxymethyl]butyl hydrogen phosphate);2-[[2-[2-[2-[2-[2-[2-[2-[2-(hydroxymethyl)butoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxymethyl]butyl hydrogen phosphate
• SMILES: CCC(CO)COP(=O)([O-])OCCOP(=O)([O-])OCCOP(=O)([O-])OCCOP(=O)([O-])OCCOP(=O)([O-])OCCOP(=O)([O-])OCCOP(=O)([O-])OCCOP(=O)([O-])OCC(CC)COP(=O)([O-])O.CCOP(=O)([O-])OCC(CC)COP(=O)([O-])O.CCOP(=O)([O-])OCC(CC)COP(=O)([O-])O.CCOP(=O)([O-])OCC(CC)COP(=O)([O-])O.CCOP(=O)([O-])OCC(CC)COP(=O)([O-])O.CCOP(=O)([O-])OCC(CC)COP(=O)([O-])O.CCOP(=O)([O-])OCC(CC)COP(=O)([O-])O.CCOP(=O)([O-])OCC(CC)COP(=O)([O-])O.CCOP(=O)([O-])OCC(CC)COP(=O)([O-])O
• InChI: InChI=1S/C24H59O37P9.8C7H18O8P2/c1-3-23(19-25)20-60-69(41,42)57-17-15-55-67(37,38)53-13-11-51-65(33,34)49-9-7-47-63(29,30)45-5-6-46-64(31,32)48-8-10-50-66(35,36)52-12-14-54-68(39,40)56-16-18-58-70(43,44)61-22-24(4-2)21-59-62(26,27)28;8*1-3-7(5-14-16(8,9)10)6-15-17(11,12)13-4-2/h23-25H,3-22H2,1-2H3,(H,29,30)(H,31,32)(H,33,34)(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H2,26,27,28);8*7H,3-6H2,1-2H3,(H,11,12)(H2,8,9,10)/p-25
• InChIKey: GSQITHNFPHROLI-UHFFFAOYSA-A
• XLogP: -3.39
• TPSA: 1583.98 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 92
• Rotatable Bonds: 119
• Heavy Atoms: 206
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3530.55
LogP ≤ 5	-3.39
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	92

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 octakis(2-[[ethoxy(oxido)phosphoryl]oxymethyl]butyl hydrogen phosphate);2-[[2-[2-[2-[2-[2-[2-[2-[2-(hydroxymethyl)butoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxymethyl]butyl hydrogen phosphate?

The IUPAC name of octakis(2-[[ethoxy(oxido)phosphoryl]oxymethyl]butyl hydrogen phosphate);2-[[2-[2-[2-[2-[2-[2-[2-[2-(hydroxymethyl)butoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxymethyl]butyl hydrogen phosphate (CID 158353857) is octakis(2-[[ethoxy(oxido)phosphoryl]oxymethyl]butyl hydrogen phosphate);2-[[2-[2-[2-[2-[2-[2-[2-[2-(hydroxymethyl)butoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxymethyl]butyl hydrogen phosphate.

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

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

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

The InChIKey is GSQITHNFPHROLI-UHFFFAOYSA-A. The full InChI is InChI=1S/C24H59O37P9.8C7H18O8P2/c1-3-23(19-25)20-60-69(41,42)57-17-15-55-67(37,38)53-13-11-51-65(33,34)49-9-7-47-63(29,30)45-5-6-46-64(31,32)48-8-10-50-66(35,36)52-12-14-54-68(39,40)56-16-18-58-70(43,44)61-22-24(4-2)21-59-62(26,27)28;8*1-3-7(5-14-16(8,9)10)6-15-17(11,12)13-4-2/h23-25H,3-22H2,1-2H3,(H,29,30)(H,31,32)(H,33,34)(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H2,26,27,28);8*7H,3-6H2,1-2H3,(H,11,12)(H2,8,9,10)/p-25.

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

octakis(2-[[ethoxy(oxido)phosphoryl]oxymethyl]butyl hydrogen phosphate);2-[[2-[2-[2-[2-[2-[2-[2-[2-(hydroxymethyl)butoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxymethyl]butyl hydrogen phosphate has a molecular weight of 3530.55 g/mol, XLogP of -3.39, 119 rotatable bonds, 10 hydrogen bond donors, and 92 hydrogen bond acceptors.

Where does this data come from?

All data for octakis(2-[[ethoxy(oxido)phosphoryl]oxymethyl]butyl hydrogen phosphate);2-[[2-[2-[2-[2-[2-[2-[2-[2-(hydroxymethyl)butoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxymethyl]butyl hydrogen phosphate is sourced from PubChem (CID 158353857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).