[(4Z,7Z,10Z,13Z,16Z,19Z)-2-ethyldocosa-4,7,10,13,16,19-hexaenyl] dihydrogen phosphate

C24H39O4P — CID 59492203

IUPAC[(4Z,7Z,10Z,13Z,16Z,19Z)-2-ethyldocosa-4,7,10,13,16,19-hexaenyl] dihydrogen phosphate
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC(CC)COP(=O)(O)O
InChIInChI=1S/C24H39O4P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(4-2)23-28-29(25,26)27/h5-6,8-9,11-12,14-15,17-18,20-21,24H,3-4,7,10,13,16,19,22-23H2,1-2H3,(H2,25,26,27)/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20-
InChIKeyBEBRJTQTCTWHCJ-YNUSHXQLSA-N
MW422.55 g/mol
LogP7.21
Rot. Bonds17

About [(4Z,7Z,10Z,13Z,16Z,19Z)-2-ethyldocosa-4,7,10,13,16,19-hexaenyl] dihydrogen phosphate

[(4Z,7Z,10Z,13Z,16Z,19Z)-2-ethyldocosa-4,7,10,13,16,19-hexaenyl] dihydrogen phosphate (PubChem CID 59492203) has the molecular formula C24H39O4P and a molecular weight of 422.55 g/mol. Its IUPAC name is [(4Z,7Z,10Z,13Z,16Z,19Z)-2-ethyldocosa-4,7,10,13,16,19-hexaenyl] dihydrogen phosphate.

Molecular Properties

Compound Name[(4Z,7Z,10Z,13Z,16Z,19Z)-2-ethyldocosa-4,7,10,13,16,19-hexaenyl] dihydrogen phosphate
PubChem CID59492203
Molecular FormulaC24H39O4P
Molecular Weight422.55 g/mol
Exact Mass422.26
IUPAC Name[(4Z,7Z,10Z,13Z,16Z,19Z)-2-ethyldocosa-4,7,10,13,16,19-hexaenyl] dihydrogen phosphate
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC(CC)COP(=O)(O)O
InChIInChI=1S/C24H39O4P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(4-2)23-28-29(25,26)27/h5-6,8-9,11-12,14-15,17-18,20-21,24H,3-4,7,10,13,16,19,22-23H2,1-2H3,(H2,25,26,27)/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20-
InChIKeyBEBRJTQTCTWHCJ-YNUSHXQLSA-N
XLogP7.21
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.55
LogP ≤ 57.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(4Z,7Z,10Z,13Z,16Z,19Z)-2-ethyldocosa-4,7,10,13,16,19-hexaenyl] dihydrogen phosphate?
The IUPAC name of [(4Z,7Z,10Z,13Z,16Z,19Z)-2-ethyldocosa-4,7,10,13,16,19-hexaenyl] dihydrogen phosphate (CID 59492203) is [(4Z,7Z,10Z,13Z,16Z,19Z)-2-ethyldocosa-4,7,10,13,16,19-hexaenyl] dihydrogen phosphate.
What is the SMILES notation for [(4Z,7Z,10Z,13Z,16Z,19Z)-2-ethyldocosa-4,7,10,13,16,19-hexaenyl] dihydrogen phosphate?
The canonical SMILES for [(4Z,7Z,10Z,13Z,16Z,19Z)-2-ethyldocosa-4,7,10,13,16,19-hexaenyl] dihydrogen phosphate is CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC(CC)COP(=O)(O)O.
What is the InChIKey of [(4Z,7Z,10Z,13Z,16Z,19Z)-2-ethyldocosa-4,7,10,13,16,19-hexaenyl] dihydrogen phosphate?
The InChIKey is BEBRJTQTCTWHCJ-YNUSHXQLSA-N. The full InChI is InChI=1S/C24H39O4P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(4-2)23-28-29(25,26)27/h5-6,8-9,11-12,14-15,17-18,20-21,24H,3-4,7,10,13,16,19,22-23H2,1-2H3,(H2,25,26,27)/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20-.
What are the key properties of [(4Z,7Z,10Z,13Z,16Z,19Z)-2-ethyldocosa-4,7,10,13,16,19-hexaenyl] dihydrogen phosphate?
[(4Z,7Z,10Z,13Z,16Z,19Z)-2-ethyldocosa-4,7,10,13,16,19-hexaenyl] dihydrogen phosphate has a molecular weight of 422.55 g/mol, XLogP of 7.21, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4Z,7Z,10Z,13Z,16Z,19Z)-2-ethyldocosa-4,7,10,13,16,19-hexaenyl] dihydrogen phosphate is sourced from PubChem (CID 59492203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).