[[(2Z,6Z,10Z,14Z,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenoxy]-oxidophosphoryl] phosphate

C30H49O7P2-3 — CID 45479275

About [[(2Z,6Z,10Z,14Z,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenoxy]-oxidophosphoryl] phosphate

[[(2Z,6Z,10Z,14Z,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenoxy]-oxidophosphoryl] phosphate (PubChem CID 45479275) has the molecular formula C30H49O7P2-3 and a molecular weight of 583.66 g/mol. Its IUPAC name is [[(2Z,6Z,10Z,14Z,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenoxy]-oxidophosphoryl] phosphate.

Molecular Properties

• Compound Name: [[(2Z,6Z,10Z,14Z,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenoxy]-oxidophosphoryl] phosphate
• PubChem CID: 45479275
• Molecular Formula: C30H49O7P2-3
• Molecular Weight: 583.66 g/mol
• Exact Mass: 583.30
• IUPAC Name: [[(2Z,6Z,10Z,14Z,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenoxy]-oxidophosphoryl] phosphate
• SMILES: CC(C)=CCC/C(C)=C/CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\COP(=O)([O-])OP(=O)([O-])[O-]
• InChI: InChI=1S/C30H52O7P2/c1-25(2)13-8-14-26(3)15-9-16-27(4)17-10-18-28(5)19-11-20-29(6)21-12-22-30(7)23-24-36-39(34,35)37-38(31,32)33/h13,15,17,19,21,23H,8-12,14,16,18,20,22,24H2,1-7H3,(H,34,35)(H2,31,32,33)/p-3/b26-15+,27-17-,28-19-,29-21-,30-23-
• InChIKey: NGFSMHKFTZROKJ-VOENUQGUSA-K
• XLogP: 7.92
• TPSA: 121.78 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 20
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	583.66
LogP ≤ 5	7.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [[(2Z,6Z,10Z,14Z,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenoxy]-oxidophosphoryl] phosphate?

The IUPAC name of [[(2Z,6Z,10Z,14Z,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenoxy]-oxidophosphoryl] phosphate (CID 45479275) is [[(2Z,6Z,10Z,14Z,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenoxy]-oxidophosphoryl] phosphate.

What is the SMILES notation for [[(2Z,6Z,10Z,14Z,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenoxy]-oxidophosphoryl] phosphate?

The canonical SMILES for [[(2Z,6Z,10Z,14Z,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenoxy]-oxidophosphoryl] phosphate is CC(C)=CCC/C(C)=C/CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\COP(=O)([O-])OP(=O)([O-])[O-].

What is the InChIKey of [[(2Z,6Z,10Z,14Z,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenoxy]-oxidophosphoryl] phosphate?

The InChIKey is NGFSMHKFTZROKJ-VOENUQGUSA-K. The full InChI is InChI=1S/C30H52O7P2/c1-25(2)13-8-14-26(3)15-9-16-27(4)17-10-18-28(5)19-11-20-29(6)21-12-22-30(7)23-24-36-39(34,35)37-38(31,32)33/h13,15,17,19,21,23H,8-12,14,16,18,20,22,24H2,1-7H3,(H,34,35)(H2,31,32,33)/p-3/b26-15+,27-17-,28-19-,29-21-,30-23-.

What are the key properties of [[(2Z,6Z,10Z,14Z,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenoxy]-oxidophosphoryl] phosphate?

[[(2Z,6Z,10Z,14Z,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenoxy]-oxidophosphoryl] phosphate has a molecular weight of 583.66 g/mol, XLogP of 7.92, 20 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [[(2Z,6Z,10Z,14Z,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenoxy]-oxidophosphoryl] phosphate is sourced from PubChem (CID 45479275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).