[oxido-[(2Z,6Z,10Z,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenoxy]phosphoryl] phosphate

C25H41O7P2-3 — CID 45479572

IUPAC[oxido-[(2Z,6Z,10Z,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenoxy]phosphoryl] phosphate
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\COP(=O)([O-])OP(=O)([O-])[O-]
InChIInChI=1S/C25H44O7P2/c1-21(2)11-7-12-22(3)13-8-14-23(4)15-9-16-24(5)17-10-18-25(6)19-20-31-34(29,30)32-33(26,27)28/h11,13,15,17,19H,7-10,12,14,16,18,20H2,1-6H3,(H,29,30)(H2,26,27,28)/p-3/b22-13+,23-15-,24-17-,25-19-
InChIKeyJMVSBFJBMXQNJW-FZKBJVPYSA-K
MW515.54 g/mol
LogP6.19
Rot. Bonds17

About [oxido-[(2Z,6Z,10Z,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenoxy]phosphoryl] phosphate

[oxido-[(2Z,6Z,10Z,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenoxy]phosphoryl] phosphate (PubChem CID 45479572) has the molecular formula C25H41O7P2-3 and a molecular weight of 515.54 g/mol. Its IUPAC name is [oxido-[(2Z,6Z,10Z,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenoxy]phosphoryl] phosphate.

Molecular Properties

Compound Name[oxido-[(2Z,6Z,10Z,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenoxy]phosphoryl] phosphate
PubChem CID45479572
Molecular FormulaC25H41O7P2-3
Molecular Weight515.54 g/mol
Exact Mass515.23
IUPAC Name[oxido-[(2Z,6Z,10Z,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenoxy]phosphoryl] phosphate
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\COP(=O)([O-])OP(=O)([O-])[O-]
InChIInChI=1S/C25H44O7P2/c1-21(2)11-7-12-22(3)13-8-14-23(4)15-9-16-24(5)17-10-18-25(6)19-20-31-34(29,30)32-33(26,27)28/h11,13,15,17,19H,7-10,12,14,16,18,20H2,1-6H3,(H,29,30)(H2,26,27,28)/p-3/b22-13+,23-15-,24-17-,25-19-
InChIKeyJMVSBFJBMXQNJW-FZKBJVPYSA-K
XLogP6.19
TPSA121.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.54
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

Farnesyl pyrophosphate
CID 445713
Geranyl Diphosphate
CID 445995
Geranylgeranyl pyrophosphate
CID 447277
All-trans-nonaprenyl diphosphate
CID 5280650
2-cis,6-trans-Farnesyl diphosphate
CID 445683
2-cis,6-trans,10-trans-Geranylgeranyl diphosphate
CID 5281909
All-trans-hexaprenyl diphosphate
CID 5280413
Octaprenyl diphosphate
CID 5280651
2-Trans,6-trans,10-trans-geranylgeranyl diphosphate(3-)
CID 5497105
2-Trans,6-cis-farnesyl diphosphate
CID 10970974
2-Trans,6-trans-farnesyl diphosphate(3-)
CID 15983959
All-trans-decaprenyl diphosphate
CID 5462210

Frequently Asked Questions

What is the IUPAC name of [oxido-[(2Z,6Z,10Z,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenoxy]phosphoryl] phosphate?
The IUPAC name of [oxido-[(2Z,6Z,10Z,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenoxy]phosphoryl] phosphate (CID 45479572) is [oxido-[(2Z,6Z,10Z,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenoxy]phosphoryl] phosphate.
What is the SMILES notation for [oxido-[(2Z,6Z,10Z,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenoxy]phosphoryl] phosphate?
The canonical SMILES for [oxido-[(2Z,6Z,10Z,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenoxy]phosphoryl] phosphate is CC(C)=CCC/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 [oxido-[(2Z,6Z,10Z,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenoxy]phosphoryl] phosphate?
The InChIKey is JMVSBFJBMXQNJW-FZKBJVPYSA-K. The full InChI is InChI=1S/C25H44O7P2/c1-21(2)11-7-12-22(3)13-8-14-23(4)15-9-16-24(5)17-10-18-25(6)19-20-31-34(29,30)32-33(26,27)28/h11,13,15,17,19H,7-10,12,14,16,18,20H2,1-6H3,(H,29,30)(H2,26,27,28)/p-3/b22-13+,23-15-,24-17-,25-19-.
What are the key properties of [oxido-[(2Z,6Z,10Z,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenoxy]phosphoryl] phosphate?
[oxido-[(2Z,6Z,10Z,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenoxy]phosphoryl] phosphate has a molecular weight of 515.54 g/mol, XLogP of 6.19, 17 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [oxido-[(2Z,6Z,10Z,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenoxy]phosphoryl] phosphate is sourced from PubChem (CID 45479572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).