disodium;acetamide;[(2R)-2-hexadecanoyloxy-3-pentadeca-2,4,6,8,10,12,14-heptaynoyloxypropyl] phosphate;molecular hydrogen

C36H68NNa2O9P — CID 159815830

About disodium;acetamide;[(2R)-2-hexadecanoyloxy-3-pentadeca-2,4,6,8,10,12,14-heptaynoyloxypropyl] phosphate;molecular hydrogen

disodium;acetamide;[(2R)-2-hexadecanoyloxy-3-pentadeca-2,4,6,8,10,12,14-heptaynoyloxypropyl] phosphate;molecular hydrogen (PubChem CID 159815830) has the molecular formula C36H68NNa2O9P and a molecular weight of 735.89 g/mol. Its IUPAC name is disodium;acetamide;[(2R)-2-hexadecanoyloxy-3-pentadeca-2,4,6,8,10,12,14-heptaynoyloxypropyl] phosphate;molecular hydrogen.

Molecular Properties

• Compound Name: disodium;acetamide;[(2R)-2-hexadecanoyloxy-3-pentadeca-2,4,6,8,10,12,14-heptaynoyloxypropyl] phosphate;molecular hydrogen
• PubChem CID: 159815830
• Molecular Formula: C36H68NNa2O9P
• Molecular Weight: 735.89 g/mol
• Exact Mass: 735.44
• IUPAC Name: disodium;acetamide;[(2R)-2-hexadecanoyloxy-3-pentadeca-2,4,6,8,10,12,14-heptaynoyloxypropyl] phosphate;molecular hydrogen
• SMILES: C#CC#CC#CC#CC#CC#CC#CC(=O)OC[C@H](COP(=O)([O-])[O-])OC(=O)CCCCCCCCCCCCCCC.CC(N)=O.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[Na+].[Na+]
• InChI: InChI=1S/C34H39O8P.C2H5NO.2Na.13H2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(36)42-32(31-41-43(37,38)39)30-40-33(35)28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-2(3)4;;;;;;;;;;;;;;;/h2,32H,3,5,7,9,11,13,15,17,19,21,23,25,27,29-31H2,1H3,(H2,37,38,39);1H3,(H2,3,4);;;13*1H/q;;2*+1;;;;;;;;;;;;;/p-2/t32-;;;;;;;;;;;;;;;;/m1................/s1
• InChIKey: NLPLCEZSIPWLEZ-YSZZEGFPSA-L
• XLogP: 0.12
• TPSA: 168.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 20
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	735.89
LogP ≤ 5	0.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_5', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of disodium;acetamide;[(2R)-2-hexadecanoyloxy-3-pentadeca-2,4,6,8,10,12,14-heptaynoyloxypropyl] phosphate;molecular hydrogen?

The IUPAC name of disodium;acetamide;[(2R)-2-hexadecanoyloxy-3-pentadeca-2,4,6,8,10,12,14-heptaynoyloxypropyl] phosphate;molecular hydrogen (CID 159815830) is disodium;acetamide;[(2R)-2-hexadecanoyloxy-3-pentadeca-2,4,6,8,10,12,14-heptaynoyloxypropyl] phosphate;molecular hydrogen.

What is the SMILES notation for disodium;acetamide;[(2R)-2-hexadecanoyloxy-3-pentadeca-2,4,6,8,10,12,14-heptaynoyloxypropyl] phosphate;molecular hydrogen?

The canonical SMILES for disodium;acetamide;[(2R)-2-hexadecanoyloxy-3-pentadeca-2,4,6,8,10,12,14-heptaynoyloxypropyl] phosphate;molecular hydrogen is C#CC#CC#CC#CC#CC#CC#CC(=O)OC[C@H](COP(=O)([O-])[O-])OC(=O)CCCCCCCCCCCCCCC.CC(N)=O.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[Na+].[Na+].

What is the InChIKey of disodium;acetamide;[(2R)-2-hexadecanoyloxy-3-pentadeca-2,4,6,8,10,12,14-heptaynoyloxypropyl] phosphate;molecular hydrogen?

The InChIKey is NLPLCEZSIPWLEZ-YSZZEGFPSA-L. The full InChI is InChI=1S/C34H39O8P.C2H5NO.2Na.13H2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(36)42-32(31-41-43(37,38)39)30-40-33(35)28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-2(3)4;;;;;;;;;;;;;;;/h2,32H,3,5,7,9,11,13,15,17,19,21,23,25,27,29-31H2,1H3,(H2,37,38,39);1H3,(H2,3,4);;;13*1H/q;;2*+1;;;;;;;;;;;;;/p-2/t32-;;;;;;;;;;;;;;;;/m1................/s1.

What are the key properties of disodium;acetamide;[(2R)-2-hexadecanoyloxy-3-pentadeca-2,4,6,8,10,12,14-heptaynoyloxypropyl] phosphate;molecular hydrogen?

disodium;acetamide;[(2R)-2-hexadecanoyloxy-3-pentadeca-2,4,6,8,10,12,14-heptaynoyloxypropyl] phosphate;molecular hydrogen has a molecular weight of 735.89 g/mol, XLogP of 0.12, 20 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for disodium;acetamide;[(2R)-2-hexadecanoyloxy-3-pentadeca-2,4,6,8,10,12,14-heptaynoyloxypropyl] phosphate;molecular hydrogen is sourced from PubChem (CID 159815830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).