[1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(Z)-tetradec-9-enoxy]propan-2-yl] pentanoate

C24H48NO7P — CID 138250103

About [1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(Z)-tetradec-9-enoxy]propan-2-yl] pentanoate

[1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(Z)-tetradec-9-enoxy]propan-2-yl] pentanoate (PubChem CID 138250103) has the molecular formula C24H48NO7P and a molecular weight of 493.62 g/mol. Its IUPAC name is [1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(Z)-tetradec-9-enoxy]propan-2-yl] pentanoate.

Molecular Properties

• Compound Name: [1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(Z)-tetradec-9-enoxy]propan-2-yl] pentanoate
• PubChem CID: 138250103
• Molecular Formula: C24H48NO7P
• Molecular Weight: 493.62 g/mol
• Exact Mass: 493.32
• IUPAC Name: [1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(Z)-tetradec-9-enoxy]propan-2-yl] pentanoate
• SMILES: CCCC/C=C\CCCCCCCCOCC(COP(=O)(O)OCCN)OC(=O)CCCC
• InChI: InChI=1S/C24H48NO7P/c1-3-5-7-8-9-10-11-12-13-14-15-16-19-29-21-23(32-24(26)17-6-4-2)22-31-33(27,28)30-20-18-25/h8-9,23H,3-7,10-22,25H2,1-2H3,(H,27,28)/b9-8-
• InChIKey: RAYMLVFGFADKNA-HJWRWDBZSA-N
• XLogP: 5.67
• TPSA: 117.31 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 24
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	493.62
LogP ≤ 5	5.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(Z)-tetradec-9-enoxy]propan-2-yl] pentanoate?

The IUPAC name of [1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(Z)-tetradec-9-enoxy]propan-2-yl] pentanoate (CID 138250103) is [1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(Z)-tetradec-9-enoxy]propan-2-yl] pentanoate.

What is the SMILES notation for [1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(Z)-tetradec-9-enoxy]propan-2-yl] pentanoate?

The canonical SMILES for [1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(Z)-tetradec-9-enoxy]propan-2-yl] pentanoate is CCCC/C=C\CCCCCCCCOCC(COP(=O)(O)OCCN)OC(=O)CCCC.

What is the InChIKey of [1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(Z)-tetradec-9-enoxy]propan-2-yl] pentanoate?

The InChIKey is RAYMLVFGFADKNA-HJWRWDBZSA-N. The full InChI is InChI=1S/C24H48NO7P/c1-3-5-7-8-9-10-11-12-13-14-15-16-19-29-21-23(32-24(26)17-6-4-2)22-31-33(27,28)30-20-18-25/h8-9,23H,3-7,10-22,25H2,1-2H3,(H,27,28)/b9-8-.

What are the key properties of [1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(Z)-tetradec-9-enoxy]propan-2-yl] pentanoate?

[1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(Z)-tetradec-9-enoxy]propan-2-yl] pentanoate has a molecular weight of 493.62 g/mol, XLogP of 5.67, 24 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(Z)-tetradec-9-enoxy]propan-2-yl] pentanoate is sourced from PubChem (CID 138250103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).