[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-formyloxypropyl] hexadecanoate;(Z)-pentadec-7-ene

C38H75O10P — CID 155926510

About [(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-formyloxypropyl] hexadecanoate;(Z)-pentadec-7-ene

[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-formyloxypropyl] hexadecanoate;(Z)-pentadec-7-ene (PubChem CID 155926510) has the molecular formula C38H75O10P and a molecular weight of 722.98 g/mol. Its IUPAC name is [(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-formyloxypropyl] hexadecanoate;(Z)-pentadec-7-ene.

Molecular Properties

• Compound Name: [(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-formyloxypropyl] hexadecanoate;(Z)-pentadec-7-ene
• PubChem CID: 155926510
• Molecular Formula: C38H75O10P
• Molecular Weight: 722.98 g/mol
• Exact Mass: 722.51
• IUPAC Name: [(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-formyloxypropyl] hexadecanoate;(Z)-pentadec-7-ene
• SMILES: CCCCCC/C=C\CCCCCCC.CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)CO)OC=O
• InChI: InChI=1S/C23H45O10P.C15H30/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-23(27)30-18-22(31-20-25)19-33-34(28,29)32-17-21(26)16-24;1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h20-22,24,26H,2-19H2,1H3,(H,28,29);13,15H,3-12,14H2,1-2H3/b;15-13-/t21-,22+;/m0./s1
• InChIKey: BGFHPSSZDDBKII-KBULCEHSSA-N
• XLogP: 9.91
• TPSA: 148.82 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 36
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	722.98
LogP ≤ 5	9.91
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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 [(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-formyloxypropyl] hexadecanoate;(Z)-pentadec-7-ene?

The IUPAC name of [(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-formyloxypropyl] hexadecanoate;(Z)-pentadec-7-ene (CID 155926510) is [(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-formyloxypropyl] hexadecanoate;(Z)-pentadec-7-ene.

What is the SMILES notation for [(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-formyloxypropyl] hexadecanoate;(Z)-pentadec-7-ene?

The canonical SMILES for [(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-formyloxypropyl] hexadecanoate;(Z)-pentadec-7-ene is CCCCCC/C=C\CCCCCCC.CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)CO)OC=O.

What is the InChIKey of [(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-formyloxypropyl] hexadecanoate;(Z)-pentadec-7-ene?

The InChIKey is BGFHPSSZDDBKII-KBULCEHSSA-N. The full InChI is InChI=1S/C23H45O10P.C15H30/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-23(27)30-18-22(31-20-25)19-33-34(28,29)32-17-21(26)16-24;1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h20-22,24,26H,2-19H2,1H3,(H,28,29);13,15H,3-12,14H2,1-2H3/b;15-13-/t21-,22+;/m0./s1.

What are the key properties of [(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-formyloxypropyl] hexadecanoate;(Z)-pentadec-7-ene?

[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-formyloxypropyl] hexadecanoate;(Z)-pentadec-7-ene has a molecular weight of 722.98 g/mol, XLogP of 9.91, 36 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-formyloxypropyl] hexadecanoate;(Z)-pentadec-7-ene is sourced from PubChem (CID 155926510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).