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

C31H66O45P11-11 — CID 158034703

About 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

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 158034703) has the molecular formula C31H66O45P11-11 and a molecular weight of 1499.54 g/mol. Its IUPAC name is 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: 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: 158034703
• Molecular Formula: C31H66O45P11-11
• Molecular Weight: 1499.54 g/mol
• Exact Mass: 1499.01
• IUPAC Name: 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
• InChI: InChI=1S/C24H59O37P9.C7H18O8P2/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;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);7H,3-6H2,1-2H3,(H,11,12)(H2,8,9,10)/p-11
• InChIKey: FHPLFJFTNQHWHG-UHFFFAOYSA-C
• XLogP: -3.47
• TPSA: 686.72 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 43
• Rotatable Bonds: 56
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1499.54
LogP ≤ 5	-3.47
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	43

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 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 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 158034703) is 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 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 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.

What is the InChIKey of 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 FHPLFJFTNQHWHG-UHFFFAOYSA-C. The full InChI is InChI=1S/C24H59O37P9.C7H18O8P2/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;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);7H,3-6H2,1-2H3,(H,11,12)(H2,8,9,10)/p-11.

What are the key properties of 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?

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 1499.54 g/mol, XLogP of -3.47, 56 rotatable bonds, 3 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 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 158034703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).