[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[hydroxy(methoxy)phosphoryl]oxypropoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxypropoxy-oxidophosphoryl]oxy-2-methylpropyl] phosphate;octakis(2-[oxido(propan-2-yloxy)phosphoryl]oxyethyl hydrogen phosphate)

C65H148O108P27-27 — CID 158697927

IUPAC[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[hydroxy(methoxy)phosphoryl]oxypropoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxypropoxy-oxidophosphoryl]oxy-2-methylpropyl] phosphate;octakis(2-[oxido(propan-2-yloxy)phosphoryl]oxyethyl hydrogen phosphate)
SMILESCC(C)OP(=O)([O-])OCCOP(=O)([O-])O.CC(C)OP(=O)([O-])OCCOP(=O)([O-])O.CC(C)OP(=O)([O-])OCCOP(=O)([O-])O.CC(C)OP(=O)([O-])OCCOP(=O)([O-])O.CC(C)OP(=O)([O-])OCCOP(=O)([O-])O.CC(C)OP(=O)([O-])OCCOP(=O)([O-])O.CC(C)OP(=O)([O-])OCCOP(=O)([O-])O.CC(C)OP(=O)([O-])OCCOP(=O)([O-])O.COP(=O)(O)OC(C)COP(=O)([O-])OCCOP(=O)([O-])OCCOP(=O)([O-])OCCOP(=O)([O-])OCCOP(=O)([O-])OCCOP(=O)([O-])OCCOP(=O)([O-])OCCOP(=O)([O-])OC(C)COP(=O)([O-])OCC(C)COP(=O)([O-])[O-]
InChIInChI=1S/C25H63O44P11.8C5H14O8P2/c1-23(19-64-70(26,27)28)20-65-79(45,46)67-22-25(3)69-80(47,48)63-18-17-61-77(41,42)59-14-13-57-75(37,38)55-10-9-53-73(33,34)51-6-5-50-72(31,32)52-7-8-54-74(35,36)56-11-12-58-76(39,40)60-15-16-62-78(43,44)66-21-24(2)68-71(29,30)49-4;8*1-5(2)13-15(9,10)12-4-3-11-14(6,7)8/h23-25H,5-22H2,1-4H3,(H,29,30)(H,31,32)(H,33,34)(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H,45,46)(H,47,48)(H2,26,27,28);8*5H,3-4H2,1-2H3,(H,9,10)(H2,6,7,8)/p-27
InChIKeyIHEFORIIAWPEQV-UHFFFAOYSA-A
MW3494.09 g/mol
LogP-9.49
Rot. Bonds108

About [3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[hydroxy(methoxy)phosphoryl]oxypropoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxypropoxy-oxidophosphoryl]oxy-2-methylpropyl] phosphate;octakis(2-[oxido(propan-2-yloxy)phosphoryl]oxyethyl hydrogen phosphate)

[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[hydroxy(methoxy)phosphoryl]oxypropoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxypropoxy-oxidophosphoryl]oxy-2-methylpropyl] phosphate;octakis(2-[oxido(propan-2-yloxy)phosphoryl]oxyethyl hydrogen phosphate) (PubChem CID 158697927) has the molecular formula C65H148O108P27-27 and a molecular weight of 3494.09 g/mol. Its IUPAC name is [3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[hydroxy(methoxy)phosphoryl]oxypropoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxypropoxy-oxidophosphoryl]oxy-2-methylpropyl] phosphate;octakis(2-[oxido(propan-2-yloxy)phosphoryl]oxyethyl hydrogen phosphate).

Molecular Properties

Compound Name[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[hydroxy(methoxy)phosphoryl]oxypropoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxypropoxy-oxidophosphoryl]oxy-2-methylpropyl] phosphate;octakis(2-[oxido(propan-2-yloxy)phosphoryl]oxyethyl hydrogen phosphate)
PubChem CID158697927
Molecular FormulaC65H148O108P27-27
Molecular Weight3494.09 g/mol
Exact Mass3492.92
IUPAC Name[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[hydroxy(methoxy)phosphoryl]oxypropoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxypropoxy-oxidophosphoryl]oxy-2-methylpropyl] phosphate;octakis(2-[oxido(propan-2-yloxy)phosphoryl]oxyethyl hydrogen phosphate)
SMILESCC(C)OP(=O)([O-])OCCOP(=O)([O-])O.CC(C)OP(=O)([O-])OCCOP(=O)([O-])O.CC(C)OP(=O)([O-])OCCOP(=O)([O-])O.CC(C)OP(=O)([O-])OCCOP(=O)([O-])O.CC(C)OP(=O)([O-])OCCOP(=O)([O-])O.CC(C)OP(=O)([O-])OCCOP(=O)([O-])O.CC(C)OP(=O)([O-])OCCOP(=O)([O-])O.CC(C)OP(=O)([O-])OCCOP(=O)([O-])O.COP(=O)(O)OC(C)COP(=O)([O-])OCCOP(=O)([O-])OCCOP(=O)([O-])OCCOP(=O)([O-])OCCOP(=O)([O-])OCCOP(=O)([O-])OCCOP(=O)([O-])OCCOP(=O)([O-])OC(C)COP(=O)([O-])OCC(C)COP(=O)([O-])[O-]
InChIInChI=1S/C25H63O44P11.8C5H14O8P2/c1-23(19-64-70(26,27)28)20-65-79(45,46)67-22-25(3)69-80(47,48)63-18-17-61-77(41,42)59-14-13-57-75(37,38)55-10-9-53-73(33,34)51-6-5-50-72(31,32)52-7-8-54-74(35,36)56-11-12-58-76(39,40)60-15-16-62-78(43,44)66-21-24(2)68-71(29,30)49-4;8*1-5(2)13-15(9,10)12-4-3-11-14(6,7)8/h23-25H,5-22H2,1-4H3,(H,29,30)(H,31,32)(H,33,34)(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H,45,46)(H,47,48)(H2,26,27,28);8*5H,3-4H2,1-2H3,(H,9,10)(H2,6,7,8)/p-27
InChIKeyIHEFORIIAWPEQV-UHFFFAOYSA-A
XLogP-9.49
TPSA1680.93 Ų
H-Bond Donors9
H-Bond Acceptors99
Rotatable Bonds108
Heavy Atoms200
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003494.09
LogP ≤ 5-9.49
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1099

Computed Properties (RDKit)

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

Analyze [3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[hydroxy(methoxy)phosphoryl]oxypropoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxypropoxy-oxidophosphoryl]oxy-2-methylpropyl] phosphate;octakis(2-[oxido(propan-2-yloxy)phosphoryl]oxyethyl hydrogen phosphate) with MolForge

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Frequently Asked Questions

What is the IUPAC name of [3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[hydroxy(methoxy)phosphoryl]oxypropoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxypropoxy-oxidophosphoryl]oxy-2-methylpropyl] phosphate;octakis(2-[oxido(propan-2-yloxy)phosphoryl]oxyethyl hydrogen phosphate)?
The IUPAC name of [3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[hydroxy(methoxy)phosphoryl]oxypropoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxypropoxy-oxidophosphoryl]oxy-2-methylpropyl] phosphate;octakis(2-[oxido(propan-2-yloxy)phosphoryl]oxyethyl hydrogen phosphate) (CID 158697927) is [3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[hydroxy(methoxy)phosphoryl]oxypropoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxypropoxy-oxidophosphoryl]oxy-2-methylpropyl] phosphate;octakis(2-[oxido(propan-2-yloxy)phosphoryl]oxyethyl hydrogen phosphate).
What is the SMILES notation for [3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[hydroxy(methoxy)phosphoryl]oxypropoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxypropoxy-oxidophosphoryl]oxy-2-methylpropyl] phosphate;octakis(2-[oxido(propan-2-yloxy)phosphoryl]oxyethyl hydrogen phosphate)?
The canonical SMILES for [3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[hydroxy(methoxy)phosphoryl]oxypropoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxypropoxy-oxidophosphoryl]oxy-2-methylpropyl] phosphate;octakis(2-[oxido(propan-2-yloxy)phosphoryl]oxyethyl hydrogen phosphate) is CC(C)OP(=O)([O-])OCCOP(=O)([O-])O.CC(C)OP(=O)([O-])OCCOP(=O)([O-])O.CC(C)OP(=O)([O-])OCCOP(=O)([O-])O.CC(C)OP(=O)([O-])OCCOP(=O)([O-])O.CC(C)OP(=O)([O-])OCCOP(=O)([O-])O.CC(C)OP(=O)([O-])OCCOP(=O)([O-])O.CC(C)OP(=O)([O-])OCCOP(=O)([O-])O.CC(C)OP(=O)([O-])OCCOP(=O)([O-])O.COP(=O)(O)OC(C)COP(=O)([O-])OCCOP(=O)([O-])OCCOP(=O)([O-])OCCOP(=O)([O-])OCCOP(=O)([O-])OCCOP(=O)([O-])OCCOP(=O)([O-])OCCOP(=O)([O-])OC(C)COP(=O)([O-])OCC(C)COP(=O)([O-])[O-].
What is the InChIKey of [3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[hydroxy(methoxy)phosphoryl]oxypropoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxypropoxy-oxidophosphoryl]oxy-2-methylpropyl] phosphate;octakis(2-[oxido(propan-2-yloxy)phosphoryl]oxyethyl hydrogen phosphate)?
The InChIKey is IHEFORIIAWPEQV-UHFFFAOYSA-A. The full InChI is InChI=1S/C25H63O44P11.8C5H14O8P2/c1-23(19-64-70(26,27)28)20-65-79(45,46)67-22-25(3)69-80(47,48)63-18-17-61-77(41,42)59-14-13-57-75(37,38)55-10-9-53-73(33,34)51-6-5-50-72(31,32)52-7-8-54-74(35,36)56-11-12-58-76(39,40)60-15-16-62-78(43,44)66-21-24(2)68-71(29,30)49-4;8*1-5(2)13-15(9,10)12-4-3-11-14(6,7)8/h23-25H,5-22H2,1-4H3,(H,29,30)(H,31,32)(H,33,34)(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H,45,46)(H,47,48)(H2,26,27,28);8*5H,3-4H2,1-2H3,(H,9,10)(H2,6,7,8)/p-27.
What are the key properties of [3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[hydroxy(methoxy)phosphoryl]oxypropoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxypropoxy-oxidophosphoryl]oxy-2-methylpropyl] phosphate;octakis(2-[oxido(propan-2-yloxy)phosphoryl]oxyethyl hydrogen phosphate)?
[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[hydroxy(methoxy)phosphoryl]oxypropoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxypropoxy-oxidophosphoryl]oxy-2-methylpropyl] phosphate;octakis(2-[oxido(propan-2-yloxy)phosphoryl]oxyethyl hydrogen phosphate) has a molecular weight of 3494.09 g/mol, XLogP of -9.49, 108 rotatable bonds, 9 hydrogen bond donors, and 99 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[hydroxy(methoxy)phosphoryl]oxypropoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxypropoxy-oxidophosphoryl]oxy-2-methylpropyl] phosphate;octakis(2-[oxido(propan-2-yloxy)phosphoryl]oxyethyl hydrogen phosphate) is sourced from PubChem (CID 158697927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).