[(3S,6Z,10E,14E)-3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraenyl] phosphate

C25H43O4P-2 — CID 138983017

IUPAC[(3S,6Z,10E,14E)-3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraenyl] phosphate
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C\CC[C@H](C)CCOP(=O)([O-])[O-]
InChIInChI=1S/C25H45O4P/c1-21(2)11-7-12-22(3)13-8-14-23(4)15-9-16-24(5)17-10-18-25(6)19-20-29-30(26,27)28/h11,13,15,17,25H,7-10,12,14,16,18-20H2,1-6H3,(H2,26,27,28)/p-2/b22-13+,23-15+,24-17-/t25-/m0/s1
InChIKeyGYBNOAFGEKAZTA-YGRYZZMUSA-L
MW438.59 g/mol
LogP6.78
Rot. Bonds16

About [(3S,6Z,10E,14E)-3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraenyl] phosphate

[(3S,6Z,10E,14E)-3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraenyl] phosphate (PubChem CID 138983017) has the molecular formula C25H43O4P-2 and a molecular weight of 438.59 g/mol. Its IUPAC name is [(3S,6Z,10E,14E)-3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraenyl] phosphate.

Molecular Properties

Compound Name[(3S,6Z,10E,14E)-3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraenyl] phosphate
PubChem CID138983017
Molecular FormulaC25H43O4P-2
Molecular Weight438.59 g/mol
Exact Mass438.29
IUPAC Name[(3S,6Z,10E,14E)-3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraenyl] phosphate
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C\CC[C@H](C)CCOP(=O)([O-])[O-]
InChIInChI=1S/C25H45O4P/c1-21(2)11-7-12-22(3)13-8-14-23(4)15-9-16-24(5)17-10-18-25(6)19-20-29-30(26,27)28/h11,13,15,17,25H,7-10,12,14,16,18-20H2,1-6H3,(H2,26,27,28)/p-2/b22-13+,23-15+,24-17-/t25-/m0/s1
InChIKeyGYBNOAFGEKAZTA-YGRYZZMUSA-L
XLogP6.78
TPSA72.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.59
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Dolichol phosphate
CID 5280322
Dolichyl diphosphate
CID 24892721
Dolichyl-4 phosphate
CID 24892715
Presqualene diphosphate(3-)
CID 25244634
Presqualene monophosphate
CID 102330427
Presqualene monophosphate(2-)
CID 156022710
Dolichyl phosphate dianion
CID 46906034
[(3S)-3,7-dimethyloct-6-enyl] phosphono hydrogen phosphate
CID 137642186
6,7-Dihydrogeranyl pyrophosphate
CID 483412
Dolichyl diphosphate trianion
CID 46878381
Dolichol-pp
CID 155804591
[[(3S)-3,7-dimethyloct-6-enoxy]-hydroxyphosphoryl]methylphosphonic acid
CID 137635073

Frequently Asked Questions

What is the IUPAC name of [(3S,6Z,10E,14E)-3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraenyl] phosphate?
The IUPAC name of [(3S,6Z,10E,14E)-3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraenyl] phosphate (CID 138983017) is [(3S,6Z,10E,14E)-3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraenyl] phosphate.
What is the SMILES notation for [(3S,6Z,10E,14E)-3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraenyl] phosphate?
The canonical SMILES for [(3S,6Z,10E,14E)-3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraenyl] phosphate is CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C\CC[C@H](C)CCOP(=O)([O-])[O-].
What is the InChIKey of [(3S,6Z,10E,14E)-3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraenyl] phosphate?
The InChIKey is GYBNOAFGEKAZTA-YGRYZZMUSA-L. The full InChI is InChI=1S/C25H45O4P/c1-21(2)11-7-12-22(3)13-8-14-23(4)15-9-16-24(5)17-10-18-25(6)19-20-29-30(26,27)28/h11,13,15,17,25H,7-10,12,14,16,18-20H2,1-6H3,(H2,26,27,28)/p-2/b22-13+,23-15+,24-17-/t25-/m0/s1.
What are the key properties of [(3S,6Z,10E,14E)-3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraenyl] phosphate?
[(3S,6Z,10E,14E)-3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraenyl] phosphate has a molecular weight of 438.59 g/mol, XLogP of 6.78, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,6Z,10E,14E)-3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraenyl] phosphate is sourced from PubChem (CID 138983017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).