9-hydroxy-3-[4-[2-[4-[(9-hydroxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecan-3-yl)oxy]cyclohexyl]propan-2-yl]cyclohexyl]oxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane

C25H44O12P4 — CID 22899554

About 9-hydroxy-3-[4-[2-[4-[(9-hydroxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecan-3-yl)oxy]cyclohexyl]propan-2-yl]cyclohexyl]oxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane

9-hydroxy-3-[4-[2-[4-[(9-hydroxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecan-3-yl)oxy]cyclohexyl]propan-2-yl]cyclohexyl]oxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane (PubChem CID 22899554) has the molecular formula C25H44O12P4 and a molecular weight of 660.51 g/mol. Its IUPAC name is 9-hydroxy-3-[4-[2-[4-[(9-hydroxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecan-3-yl)oxy]cyclohexyl]propan-2-yl]cyclohexyl]oxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane.

Molecular Properties

• Compound Name: 9-hydroxy-3-[4-[2-[4-[(9-hydroxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecan-3-yl)oxy]cyclohexyl]propan-2-yl]cyclohexyl]oxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
• PubChem CID: 22899554
• Molecular Formula: C25H44O12P4
• Molecular Weight: 660.51 g/mol
• Exact Mass: 660.18
• IUPAC Name: 9-hydroxy-3-[4-[2-[4-[(9-hydroxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecan-3-yl)oxy]cyclohexyl]propan-2-yl]cyclohexyl]oxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
• SMILES: CC(C)(C1CCC(OP2OCC3(COP(O)OC3)CO2)CC1)C1CCC(OP2OCC3(COP(O)OC3)CO2)CC1
• InChI: InChI=1S/C25H44O12P4/c1-23(2,19-3-7-21(8-4-19)36-40-32-15-24(16-33-40)11-28-38(26)29-12-24)20-5-9-22(10-6-20)37-41-34-17-25(18-35-41)13-30-39(27)31-14-25/h19-22,26-27H,3-18H2,1-2H3
• InChIKey: FUNAZLJYSMBLDH-UHFFFAOYSA-N
• XLogP: 6.22
• TPSA: 132.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	660.51
LogP ≤ 5	6.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-3-[4-[2-[4-[(9-hydroxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecan-3-yl)oxy]cyclohexyl]propan-2-yl]cyclohexyl]oxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane?

The IUPAC name of 9-hydroxy-3-[4-[2-[4-[(9-hydroxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecan-3-yl)oxy]cyclohexyl]propan-2-yl]cyclohexyl]oxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane (CID 22899554) is 9-hydroxy-3-[4-[2-[4-[(9-hydroxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecan-3-yl)oxy]cyclohexyl]propan-2-yl]cyclohexyl]oxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane.

What is the SMILES notation for 9-hydroxy-3-[4-[2-[4-[(9-hydroxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecan-3-yl)oxy]cyclohexyl]propan-2-yl]cyclohexyl]oxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane?

The canonical SMILES for 9-hydroxy-3-[4-[2-[4-[(9-hydroxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecan-3-yl)oxy]cyclohexyl]propan-2-yl]cyclohexyl]oxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane is CC(C)(C1CCC(OP2OCC3(COP(O)OC3)CO2)CC1)C1CCC(OP2OCC3(COP(O)OC3)CO2)CC1.

What is the InChIKey of 9-hydroxy-3-[4-[2-[4-[(9-hydroxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecan-3-yl)oxy]cyclohexyl]propan-2-yl]cyclohexyl]oxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane?

The InChIKey is FUNAZLJYSMBLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H44O12P4/c1-23(2,19-3-7-21(8-4-19)36-40-32-15-24(16-33-40)11-28-38(26)29-12-24)20-5-9-22(10-6-20)37-41-34-17-25(18-35-41)13-30-39(27)31-14-25/h19-22,26-27H,3-18H2,1-2H3.

What are the key properties of 9-hydroxy-3-[4-[2-[4-[(9-hydroxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecan-3-yl)oxy]cyclohexyl]propan-2-yl]cyclohexyl]oxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane?

9-hydroxy-3-[4-[2-[4-[(9-hydroxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecan-3-yl)oxy]cyclohexyl]propan-2-yl]cyclohexyl]oxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane has a molecular weight of 660.51 g/mol, XLogP of 6.22, 6 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 9-hydroxy-3-[4-[2-[4-[(9-hydroxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecan-3-yl)oxy]cyclohexyl]propan-2-yl]cyclohexyl]oxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane is sourced from PubChem (CID 22899554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).