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

C29H62O41P10-10 — CID 163663058

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

2-[[2-[2-[2-[2-[2-[2-[2-[[ethoxy(oxido)phosphoryl]oxymethyl]butoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxymethyl]butyl hydrogen phosphate;2-(hydroxymethyl)butyl hydrogen phosphate (PubChem CID 163663058) has the molecular formula C29H62O41P10-10 and a molecular weight of 1376.51 g/mol. Its IUPAC name is 2-[[2-[2-[2-[2-[2-[2-[2-[[ethoxy(oxido)phosphoryl]oxymethyl]butoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxymethyl]butyl hydrogen phosphate;2-(hydroxymethyl)butyl hydrogen phosphate.

Molecular Properties

• Compound Name: 2-[[2-[2-[2-[2-[2-[2-[2-[[ethoxy(oxido)phosphoryl]oxymethyl]butoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxymethyl]butyl hydrogen phosphate;2-(hydroxymethyl)butyl hydrogen phosphate
• PubChem CID: 163663058
• Molecular Formula: C29H62O41P10-10
• Molecular Weight: 1376.51 g/mol
• Exact Mass: 1376.02
• IUPAC Name: 2-[[2-[2-[2-[2-[2-[2-[2-[[ethoxy(oxido)phosphoryl]oxymethyl]butoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxymethyl]butyl hydrogen phosphate;2-(hydroxymethyl)butyl hydrogen phosphate
• SMILES: CCC(CO)COP(=O)([O-])O.CCOP(=O)([O-])OCC(CC)COP(=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
• InChI: InChI=1S/C24H59O36P9.C5H13O5P/c1-4-23(19-57-61(25,26)27)20-59-68(40,41)55-17-15-53-66(36,37)51-13-11-49-64(32,33)47-9-7-45-63(30,31)46-8-10-48-65(34,35)50-12-14-52-67(38,39)54-16-18-56-69(42,43)60-22-24(5-2)21-58-62(28,29)44-6-3;1-2-5(3-6)4-10-11(7,8)9/h23-24H,4-22H2,1-3H3,(H,28,29)(H,30,31)(H,32,33)(H,34,35)(H,36,37)(H,38,39)(H,40,41)(H,42,43)(H2,25,26,27);5-6H,2-4H2,1H3,(H2,7,8,9)/p-10
• InChIKey: IWARGXGJXMAUTE-UHFFFAOYSA-D
• XLogP: -2.97
• TPSA: 628.13 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 39
• Rotatable Bonds: 51
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1376.51
LogP ≤ 5	-2.97
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	39

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

The IUPAC name of 2-[[2-[2-[2-[2-[2-[2-[2-[[ethoxy(oxido)phosphoryl]oxymethyl]butoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxymethyl]butyl hydrogen phosphate;2-(hydroxymethyl)butyl hydrogen phosphate (CID 163663058) is 2-[[2-[2-[2-[2-[2-[2-[2-[[ethoxy(oxido)phosphoryl]oxymethyl]butoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxymethyl]butyl hydrogen phosphate;2-(hydroxymethyl)butyl hydrogen phosphate.

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

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

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

The InChIKey is IWARGXGJXMAUTE-UHFFFAOYSA-D. The full InChI is InChI=1S/C24H59O36P9.C5H13O5P/c1-4-23(19-57-61(25,26)27)20-59-68(40,41)55-17-15-53-66(36,37)51-13-11-49-64(32,33)47-9-7-45-63(30,31)46-8-10-48-65(34,35)50-12-14-52-67(38,39)54-16-18-56-69(42,43)60-22-24(5-2)21-58-62(28,29)44-6-3;1-2-5(3-6)4-10-11(7,8)9/h23-24H,4-22H2,1-3H3,(H,28,29)(H,30,31)(H,32,33)(H,34,35)(H,36,37)(H,38,39)(H,40,41)(H,42,43)(H2,25,26,27);5-6H,2-4H2,1H3,(H2,7,8,9)/p-10.

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

2-[[2-[2-[2-[2-[2-[2-[2-[[ethoxy(oxido)phosphoryl]oxymethyl]butoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxymethyl]butyl hydrogen phosphate;2-(hydroxymethyl)butyl hydrogen phosphate has a molecular weight of 1376.51 g/mol, XLogP of -2.97, 51 rotatable bonds, 3 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-[2-[2-[2-[2-[2-[2-[[ethoxy(oxido)phosphoryl]oxymethyl]butoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxymethyl]butyl hydrogen phosphate;2-(hydroxymethyl)butyl hydrogen phosphate is sourced from PubChem (CID 163663058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).