disodium;1-[(2R)-3-[2-[2-[[(2R)-3-(3-dodecanoyloxydecoxy)-2-(tetradecanoylamino)propoxy]-hydroxyphosphoryl]oxyethylcarbamoylamino]ethoxy-hydroxyphosphoryl]oxy-2-(tetradecanoylamino)propoxy]decan-3-yl dodecanoate;hydride

C83H166N4Na2O17P2 — CID 160697749

About disodium;1-[(2R)-3-[2-[2-[[(2R)-3-(3-dodecanoyloxydecoxy)-2-(tetradecanoylamino)propoxy]-hydroxyphosphoryl]oxyethylcarbamoylamino]ethoxy-hydroxyphosphoryl]oxy-2-(tetradecanoylamino)propoxy]decan-3-yl dodecanoate;hydride

disodium;1-[(2R)-3-[2-[2-[[(2R)-3-(3-dodecanoyloxydecoxy)-2-(tetradecanoylamino)propoxy]-hydroxyphosphoryl]oxyethylcarbamoylamino]ethoxy-hydroxyphosphoryl]oxy-2-(tetradecanoylamino)propoxy]decan-3-yl dodecanoate;hydride (PubChem CID 160697749) has the molecular formula C83H166N4Na2O17P2 and a molecular weight of 1600.18 g/mol. Its IUPAC name is disodium;1-[(2R)-3-[2-[2-[[(2R)-3-(3-dodecanoyloxydecoxy)-2-(tetradecanoylamino)propoxy]-hydroxyphosphoryl]oxyethylcarbamoylamino]ethoxy-hydroxyphosphoryl]oxy-2-(tetradecanoylamino)propoxy]decan-3-yl dodecanoate;hydride.

Molecular Properties

• Compound Name: disodium;1-[(2R)-3-[2-[2-[[(2R)-3-(3-dodecanoyloxydecoxy)-2-(tetradecanoylamino)propoxy]-hydroxyphosphoryl]oxyethylcarbamoylamino]ethoxy-hydroxyphosphoryl]oxy-2-(tetradecanoylamino)propoxy]decan-3-yl dodecanoate;hydride
• PubChem CID: 160697749
• Molecular Formula: C83H166N4Na2O17P2
• Molecular Weight: 1600.18 g/mol
• Exact Mass: 1599.15
• IUPAC Name: disodium;1-[(2R)-3-[2-[2-[[(2R)-3-(3-dodecanoyloxydecoxy)-2-(tetradecanoylamino)propoxy]-hydroxyphosphoryl]oxyethylcarbamoylamino]ethoxy-hydroxyphosphoryl]oxy-2-(tetradecanoylamino)propoxy]decan-3-yl dodecanoate;hydride
• SMILES: CCCCCCCCCCCCCC(=O)N[C@H](COCCC(CCCCCCC)OC(=O)CCCCCCCCCCC)COP(=O)(O)OCCNC(=O)NCCOP(=O)(O)OC[C@@H](COCCC(CCCCCCC)OC(=O)CCCCCCCCCCC)NC(=O)CCCCCCCCCCCCC.[H-].[H-].[Na+].[Na+]
• InChI: InChI=1S/C83H164N4O17P2.2Na.2H/c1-7-13-19-25-29-33-35-39-41-47-53-59-79(88)86-75(71-97-67-63-77(57-51-45-23-17-11-5)103-81(90)61-55-49-43-37-31-27-21-15-9-3)73-101-105(93,94)99-69-65-84-83(92)85-66-70-100-106(95,96)102-74-76(87-80(89)60-54-48-42-40-36-34-30-26-20-14-8-2)72-98-68-64-78(58-52-46-24-18-12-6)104-82(91)62-56-50-44-38-32-28-22-16-10-4;;;;/h75-78H,7-74H2,1-6H3,(H,86,88)(H,87,89)(H,93,94)(H,95,96)(H2,84,85,92);;;;/q;2*+1;2*-1/t75-,76-,77?,78?;;;;/m1..../s1
• InChIKey: GYGLZTYNIRAGQI-SSTSJEMDSA-N
• XLogP: 16.36
• TPSA: 281.91 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 15
• Rotatable Bonds: 84
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1600.18
LogP ≤ 5	16.36
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of disodium;1-[(2R)-3-[2-[2-[[(2R)-3-(3-dodecanoyloxydecoxy)-2-(tetradecanoylamino)propoxy]-hydroxyphosphoryl]oxyethylcarbamoylamino]ethoxy-hydroxyphosphoryl]oxy-2-(tetradecanoylamino)propoxy]decan-3-yl dodecanoate;hydride?

The IUPAC name of disodium;1-[(2R)-3-[2-[2-[[(2R)-3-(3-dodecanoyloxydecoxy)-2-(tetradecanoylamino)propoxy]-hydroxyphosphoryl]oxyethylcarbamoylamino]ethoxy-hydroxyphosphoryl]oxy-2-(tetradecanoylamino)propoxy]decan-3-yl dodecanoate;hydride (CID 160697749) is disodium;1-[(2R)-3-[2-[2-[[(2R)-3-(3-dodecanoyloxydecoxy)-2-(tetradecanoylamino)propoxy]-hydroxyphosphoryl]oxyethylcarbamoylamino]ethoxy-hydroxyphosphoryl]oxy-2-(tetradecanoylamino)propoxy]decan-3-yl dodecanoate;hydride.

What is the SMILES notation for disodium;1-[(2R)-3-[2-[2-[[(2R)-3-(3-dodecanoyloxydecoxy)-2-(tetradecanoylamino)propoxy]-hydroxyphosphoryl]oxyethylcarbamoylamino]ethoxy-hydroxyphosphoryl]oxy-2-(tetradecanoylamino)propoxy]decan-3-yl dodecanoate;hydride?

The canonical SMILES for disodium;1-[(2R)-3-[2-[2-[[(2R)-3-(3-dodecanoyloxydecoxy)-2-(tetradecanoylamino)propoxy]-hydroxyphosphoryl]oxyethylcarbamoylamino]ethoxy-hydroxyphosphoryl]oxy-2-(tetradecanoylamino)propoxy]decan-3-yl dodecanoate;hydride is CCCCCCCCCCCCCC(=O)N[C@H](COCCC(CCCCCCC)OC(=O)CCCCCCCCCCC)COP(=O)(O)OCCNC(=O)NCCOP(=O)(O)OC[C@@H](COCCC(CCCCCCC)OC(=O)CCCCCCCCCCC)NC(=O)CCCCCCCCCCCCC.[H-].[H-].[Na+].[Na+].

What is the InChIKey of disodium;1-[(2R)-3-[2-[2-[[(2R)-3-(3-dodecanoyloxydecoxy)-2-(tetradecanoylamino)propoxy]-hydroxyphosphoryl]oxyethylcarbamoylamino]ethoxy-hydroxyphosphoryl]oxy-2-(tetradecanoylamino)propoxy]decan-3-yl dodecanoate;hydride?

The InChIKey is GYGLZTYNIRAGQI-SSTSJEMDSA-N. The full InChI is InChI=1S/C83H164N4O17P2.2Na.2H/c1-7-13-19-25-29-33-35-39-41-47-53-59-79(88)86-75(71-97-67-63-77(57-51-45-23-17-11-5)103-81(90)61-55-49-43-37-31-27-21-15-9-3)73-101-105(93,94)99-69-65-84-83(92)85-66-70-100-106(95,96)102-74-76(87-80(89)60-54-48-42-40-36-34-30-26-20-14-8-2)72-98-68-64-78(58-52-46-24-18-12-6)104-82(91)62-56-50-44-38-32-28-22-16-10-4;;;;/h75-78H,7-74H2,1-6H3,(H,86,88)(H,87,89)(H,93,94)(H,95,96)(H2,84,85,92);;;;/q;2*+1;2*-1/t75-,76-,77?,78?;;;;/m1..../s1.

What are the key properties of disodium;1-[(2R)-3-[2-[2-[[(2R)-3-(3-dodecanoyloxydecoxy)-2-(tetradecanoylamino)propoxy]-hydroxyphosphoryl]oxyethylcarbamoylamino]ethoxy-hydroxyphosphoryl]oxy-2-(tetradecanoylamino)propoxy]decan-3-yl dodecanoate;hydride?

disodium;1-[(2R)-3-[2-[2-[[(2R)-3-(3-dodecanoyloxydecoxy)-2-(tetradecanoylamino)propoxy]-hydroxyphosphoryl]oxyethylcarbamoylamino]ethoxy-hydroxyphosphoryl]oxy-2-(tetradecanoylamino)propoxy]decan-3-yl dodecanoate;hydride has a molecular weight of 1600.18 g/mol, XLogP of 16.36, 84 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for disodium;1-[(2R)-3-[2-[2-[[(2R)-3-(3-dodecanoyloxydecoxy)-2-(tetradecanoylamino)propoxy]-hydroxyphosphoryl]oxyethylcarbamoylamino]ethoxy-hydroxyphosphoryl]oxy-2-(tetradecanoylamino)propoxy]decan-3-yl dodecanoate;hydride is sourced from PubChem (CID 160697749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).