disodium;[(2R)-1-[(3R)-3-heptylhexadecoxy]-3-[2-[2-[[(2R)-3-[(3R)-3-heptylhexadecoxy]-2-tetradecanoylazanidylpropoxy]-hydroxyphosphoryl]oxyethylcarbamoylamino]ethoxy-hydroxyphosphoryl]oxypropan-2-yl]-tetradecanoylazanide;2-[2-[[(2R)-3-[(3R)-3-heptylhexadecoxy]-2-(tetradecanoylamino)propoxy]-prop-2-enoxyphosphoryl]oxyethylcarbamoylamino]ethyl [(2R)-3-[(3R)-3-heptylhexadecoxy]-2-(tetradecanoylamino)propyl] prop-2-enyl phosphate

C176H350N8Na2O26P4 — CID 159971762

About disodium;[(2R)-1-[(3R)-3-heptylhexadecoxy]-3-[2-[2-[[(2R)-3-[(3R)-3-heptylhexadecoxy]-2-tetradecanoylazanidylpropoxy]-hydroxyphosphoryl]oxyethylcarbamoylamino]ethoxy-hydroxyphosphoryl]oxypropan-2-yl]-tetradecanoylazanide;2-[2-[[(2R)-3-[(3R)-3-heptylhexadecoxy]-2-(tetradecanoylamino)propoxy]-prop-2-enoxyphosphoryl]oxyethylcarbamoylamino]ethyl [(2R)-3-[(3R)-3-heptylhexadecoxy]-2-(tetradecanoylamino)propyl] prop-2-enyl phosphate

disodium;[(2R)-1-[(3R)-3-heptylhexadecoxy]-3-[2-[2-[[(2R)-3-[(3R)-3-heptylhexadecoxy]-2-tetradecanoylazanidylpropoxy]-hydroxyphosphoryl]oxyethylcarbamoylamino]ethoxy-hydroxyphosphoryl]oxypropan-2-yl]-tetradecanoylazanide;2-[2-[[(2R)-3-[(3R)-3-heptylhexadecoxy]-2-(tetradecanoylamino)propoxy]-prop-2-enoxyphosphoryl]oxyethylcarbamoylamino]ethyl [(2R)-3-[(3R)-3-heptylhexadecoxy]-2-(tetradecanoylamino)propyl] prop-2-enyl phosphate (PubChem CID 159971762) has the molecular formula C176H350N8Na2O26P4 and a molecular weight of 3164.64 g/mol. Its IUPAC name is disodium;[(2R)-1-[(3R)-3-heptylhexadecoxy]-3-[2-[2-[[(2R)-3-[(3R)-3-heptylhexadecoxy]-2-tetradecanoylazanidylpropoxy]-hydroxyphosphoryl]oxyethylcarbamoylamino]ethoxy-hydroxyphosphoryl]oxypropan-2-yl]-tetradecanoylazanide;2-[2-[[(2R)-3-[(3R)-3-heptylhexadecoxy]-2-(tetradecanoylamino)propoxy]-prop-2-enoxyphosphoryl]oxyethylcarbamoylamino]ethyl [(2R)-3-[(3R)-3-heptylhexadecoxy]-2-(tetradecanoylamino)propyl] prop-2-enyl phosphate.

Molecular Properties

• Compound Name: disodium;[(2R)-1-[(3R)-3-heptylhexadecoxy]-3-[2-[2-[[(2R)-3-[(3R)-3-heptylhexadecoxy]-2-tetradecanoylazanidylpropoxy]-hydroxyphosphoryl]oxyethylcarbamoylamino]ethoxy-hydroxyphosphoryl]oxypropan-2-yl]-tetradecanoylazanide;2-[2-[[(2R)-3-[(3R)-3-heptylhexadecoxy]-2-(tetradecanoylamino)propoxy]-prop-2-enoxyphosphoryl]oxyethylcarbamoylamino]ethyl [(2R)-3-[(3R)-3-heptylhexadecoxy]-2-(tetradecanoylamino)propyl] prop-2-enyl phosphate
• PubChem CID: 159971762
• Molecular Formula: C176H350N8Na2O26P4
• Molecular Weight: 3164.64 g/mol
• Exact Mass: 3162.51
• IUPAC Name: disodium;[(2R)-1-[(3R)-3-heptylhexadecoxy]-3-[2-[2-[[(2R)-3-[(3R)-3-heptylhexadecoxy]-2-tetradecanoylazanidylpropoxy]-hydroxyphosphoryl]oxyethylcarbamoylamino]ethoxy-hydroxyphosphoryl]oxypropan-2-yl]-tetradecanoylazanide;2-[2-[[(2R)-3-[(3R)-3-heptylhexadecoxy]-2-(tetradecanoylamino)propoxy]-prop-2-enoxyphosphoryl]oxyethylcarbamoylamino]ethyl [(2R)-3-[(3R)-3-heptylhexadecoxy]-2-(tetradecanoylamino)propyl] prop-2-enyl phosphate
• SMILES: C=CCOP(=O)(OCCNC(=O)NCCOP(=O)(OCC=C)OC[C@@H](COCC[C@H](CCCCCCC)CCCCCCCCCCCCC)NC(=O)CCCCCCCCCCCCC)OC[C@@H](COCCC(CCCCCCC)CCCCCCCCCCCCC)NC(=O)CCCCCCCCCCCCC.CCCCCCCCCCCCCC(=O)[N-][C@H](COCC[C@H](CCCCCCC)CCCCCCCCCCCCC)COP(=O)(O)OCCNC(=O)NCCOP(=O)(O)OC[C@@H](COCC[C@H](CCCCCCC)CCCCCCCCCCCCC)[N-]C(=O)CCCCCCCCCCCCC.[Na+].[Na+]
• InChI: InChI=1S/C91H180N4O13P2.C85H172N4O13P2.2Na/c1-9-17-23-29-33-37-41-45-49-55-61-67-85(65-59-53-27-21-13-5)71-77-101-81-87(94-89(96)69-63-57-51-47-43-39-35-31-25-19-11-3)83-107-109(99,103-75-15-7)105-79-73-92-91(98)93-74-80-106-110(100,104-76-16-8)108-84-88(95-90(97)70-64-58-52-48-44-40-36-32-26-20-12-4)82-102-78-72-86(66-60-54-28-22-14-6)68-62-56-50-46-42-38-34-30-24-18-10-2;1-7-13-19-25-29-33-37-41-45-51-57-63-79(61-55-49-23-17-11-5)67-71-97-75-81(88-83(90)65-59-53-47-43-39-35-31-27-21-15-9-3)77-101-103(93,94)99-73-69-86-85(92)87-70-74-100-104(95,96)102-78-82(89-84(91)66-60-54-48-44-40-36-32-28-22-16-10-4)76-98-72-68-80(62-56-50-24-18-12-6)64-58-52-46-42-38-34-30-26-20-14-8-2;;/h15-16,85-88H,7-14,17-84H2,1-6H3,(H,94,96)(H,95,97)(H2,92,93,98);79-82H,7-78H2,1-6H3,(H6,86,87,88,89,90,91,92,93,94,95,96);;/q;;2*+1/p-2/t85-,86?,87-,88-,109?,110?;79-,80-,81-,82-;;/m11../s1
• InChIKey: OEQFGTSAUKLGFZ-APNNJAFZSA-L
• XLogP: 48.18
• TPSA: 440.76 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 24
• Rotatable Bonds: 178
• Heavy Atoms: 216
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3164.64
LogP ≤ 5	48.18
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	24

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 disodium;[(2R)-1-[(3R)-3-heptylhexadecoxy]-3-[2-[2-[[(2R)-3-[(3R)-3-heptylhexadecoxy]-2-tetradecanoylazanidylpropoxy]-hydroxyphosphoryl]oxyethylcarbamoylamino]ethoxy-hydroxyphosphoryl]oxypropan-2-yl]-tetradecanoylazanide;2-[2-[[(2R)-3-[(3R)-3-heptylhexadecoxy]-2-(tetradecanoylamino)propoxy]-prop-2-enoxyphosphoryl]oxyethylcarbamoylamino]ethyl [(2R)-3-[(3R)-3-heptylhexadecoxy]-2-(tetradecanoylamino)propyl] prop-2-enyl phosphate?

The IUPAC name of disodium;[(2R)-1-[(3R)-3-heptylhexadecoxy]-3-[2-[2-[[(2R)-3-[(3R)-3-heptylhexadecoxy]-2-tetradecanoylazanidylpropoxy]-hydroxyphosphoryl]oxyethylcarbamoylamino]ethoxy-hydroxyphosphoryl]oxypropan-2-yl]-tetradecanoylazanide;2-[2-[[(2R)-3-[(3R)-3-heptylhexadecoxy]-2-(tetradecanoylamino)propoxy]-prop-2-enoxyphosphoryl]oxyethylcarbamoylamino]ethyl [(2R)-3-[(3R)-3-heptylhexadecoxy]-2-(tetradecanoylamino)propyl] prop-2-enyl phosphate (CID 159971762) is disodium;[(2R)-1-[(3R)-3-heptylhexadecoxy]-3-[2-[2-[[(2R)-3-[(3R)-3-heptylhexadecoxy]-2-tetradecanoylazanidylpropoxy]-hydroxyphosphoryl]oxyethylcarbamoylamino]ethoxy-hydroxyphosphoryl]oxypropan-2-yl]-tetradecanoylazanide;2-[2-[[(2R)-3-[(3R)-3-heptylhexadecoxy]-2-(tetradecanoylamino)propoxy]-prop-2-enoxyphosphoryl]oxyethylcarbamoylamino]ethyl [(2R)-3-[(3R)-3-heptylhexadecoxy]-2-(tetradecanoylamino)propyl] prop-2-enyl phosphate.

What is the SMILES notation for disodium;[(2R)-1-[(3R)-3-heptylhexadecoxy]-3-[2-[2-[[(2R)-3-[(3R)-3-heptylhexadecoxy]-2-tetradecanoylazanidylpropoxy]-hydroxyphosphoryl]oxyethylcarbamoylamino]ethoxy-hydroxyphosphoryl]oxypropan-2-yl]-tetradecanoylazanide;2-[2-[[(2R)-3-[(3R)-3-heptylhexadecoxy]-2-(tetradecanoylamino)propoxy]-prop-2-enoxyphosphoryl]oxyethylcarbamoylamino]ethyl [(2R)-3-[(3R)-3-heptylhexadecoxy]-2-(tetradecanoylamino)propyl] prop-2-enyl phosphate?

The canonical SMILES for disodium;[(2R)-1-[(3R)-3-heptylhexadecoxy]-3-[2-[2-[[(2R)-3-[(3R)-3-heptylhexadecoxy]-2-tetradecanoylazanidylpropoxy]-hydroxyphosphoryl]oxyethylcarbamoylamino]ethoxy-hydroxyphosphoryl]oxypropan-2-yl]-tetradecanoylazanide;2-[2-[[(2R)-3-[(3R)-3-heptylhexadecoxy]-2-(tetradecanoylamino)propoxy]-prop-2-enoxyphosphoryl]oxyethylcarbamoylamino]ethyl [(2R)-3-[(3R)-3-heptylhexadecoxy]-2-(tetradecanoylamino)propyl] prop-2-enyl phosphate is C=CCOP(=O)(OCCNC(=O)NCCOP(=O)(OCC=C)OC[C@@H](COCC[C@H](CCCCCCC)CCCCCCCCCCCCC)NC(=O)CCCCCCCCCCCCC)OC[C@@H](COCCC(CCCCCCC)CCCCCCCCCCCCC)NC(=O)CCCCCCCCCCCCC.CCCCCCCCCCCCCC(=O)[N-][C@H](COCC[C@H](CCCCCCC)CCCCCCCCCCCCC)COP(=O)(O)OCCNC(=O)NCCOP(=O)(O)OC[C@@H](COCC[C@H](CCCCCCC)CCCCCCCCCCCCC)[N-]C(=O)CCCCCCCCCCCCC.[Na+].[Na+].

What is the InChIKey of disodium;[(2R)-1-[(3R)-3-heptylhexadecoxy]-3-[2-[2-[[(2R)-3-[(3R)-3-heptylhexadecoxy]-2-tetradecanoylazanidylpropoxy]-hydroxyphosphoryl]oxyethylcarbamoylamino]ethoxy-hydroxyphosphoryl]oxypropan-2-yl]-tetradecanoylazanide;2-[2-[[(2R)-3-[(3R)-3-heptylhexadecoxy]-2-(tetradecanoylamino)propoxy]-prop-2-enoxyphosphoryl]oxyethylcarbamoylamino]ethyl [(2R)-3-[(3R)-3-heptylhexadecoxy]-2-(tetradecanoylamino)propyl] prop-2-enyl phosphate?

The InChIKey is OEQFGTSAUKLGFZ-APNNJAFZSA-L. The full InChI is InChI=1S/C91H180N4O13P2.C85H172N4O13P2.2Na/c1-9-17-23-29-33-37-41-45-49-55-61-67-85(65-59-53-27-21-13-5)71-77-101-81-87(94-89(96)69-63-57-51-47-43-39-35-31-25-19-11-3)83-107-109(99,103-75-15-7)105-79-73-92-91(98)93-74-80-106-110(100,104-76-16-8)108-84-88(95-90(97)70-64-58-52-48-44-40-36-32-26-20-12-4)82-102-78-72-86(66-60-54-28-22-14-6)68-62-56-50-46-42-38-34-30-24-18-10-2;1-7-13-19-25-29-33-37-41-45-51-57-63-79(61-55-49-23-17-11-5)67-71-97-75-81(88-83(90)65-59-53-47-43-39-35-31-27-21-15-9-3)77-101-103(93,94)99-73-69-86-85(92)87-70-74-100-104(95,96)102-78-82(89-84(91)66-60-54-48-44-40-36-32-28-22-16-10-4)76-98-72-68-80(62-56-50-24-18-12-6)64-58-52-46-42-38-34-30-26-20-14-8-2;;/h15-16,85-88H,7-14,17-84H2,1-6H3,(H,94,96)(H,95,97)(H2,92,93,98);79-82H,7-78H2,1-6H3,(H6,86,87,88,89,90,91,92,93,94,95,96);;/q;;2*+1/p-2/t85-,86?,87-,88-,109?,110?;79-,80-,81-,82-;;/m11../s1.

What are the key properties of disodium;[(2R)-1-[(3R)-3-heptylhexadecoxy]-3-[2-[2-[[(2R)-3-[(3R)-3-heptylhexadecoxy]-2-tetradecanoylazanidylpropoxy]-hydroxyphosphoryl]oxyethylcarbamoylamino]ethoxy-hydroxyphosphoryl]oxypropan-2-yl]-tetradecanoylazanide;2-[2-[[(2R)-3-[(3R)-3-heptylhexadecoxy]-2-(tetradecanoylamino)propoxy]-prop-2-enoxyphosphoryl]oxyethylcarbamoylamino]ethyl [(2R)-3-[(3R)-3-heptylhexadecoxy]-2-(tetradecanoylamino)propyl] prop-2-enyl phosphate?

disodium;[(2R)-1-[(3R)-3-heptylhexadecoxy]-3-[2-[2-[[(2R)-3-[(3R)-3-heptylhexadecoxy]-2-tetradecanoylazanidylpropoxy]-hydroxyphosphoryl]oxyethylcarbamoylamino]ethoxy-hydroxyphosphoryl]oxypropan-2-yl]-tetradecanoylazanide;2-[2-[[(2R)-3-[(3R)-3-heptylhexadecoxy]-2-(tetradecanoylamino)propoxy]-prop-2-enoxyphosphoryl]oxyethylcarbamoylamino]ethyl [(2R)-3-[(3R)-3-heptylhexadecoxy]-2-(tetradecanoylamino)propyl] prop-2-enyl phosphate has a molecular weight of 3164.64 g/mol, XLogP of 48.18, 178 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for disodium;[(2R)-1-[(3R)-3-heptylhexadecoxy]-3-[2-[2-[[(2R)-3-[(3R)-3-heptylhexadecoxy]-2-tetradecanoylazanidylpropoxy]-hydroxyphosphoryl]oxyethylcarbamoylamino]ethoxy-hydroxyphosphoryl]oxypropan-2-yl]-tetradecanoylazanide;2-[2-[[(2R)-3-[(3R)-3-heptylhexadecoxy]-2-(tetradecanoylamino)propoxy]-prop-2-enoxyphosphoryl]oxyethylcarbamoylamino]ethyl [(2R)-3-[(3R)-3-heptylhexadecoxy]-2-(tetradecanoylamino)propyl] prop-2-enyl phosphate is sourced from PubChem (CID 159971762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).