[(2R)-1-[2-(dimethylamino)ethoxy-hydroxyphosphoryl]oxy-3-[9-(3,4-dimethyl-5-propylfuran-2-yl)nonanoyloxy]propan-2-yl] 11-(3,4-dimethyl-5-pentylfuran-2-yl)undecanoate

C47H82NO10P — CID 131821822

About [(2R)-1-[2-(dimethylamino)ethoxy-hydroxyphosphoryl]oxy-3-[9-(3,4-dimethyl-5-propylfuran-2-yl)nonanoyloxy]propan-2-yl] 11-(3,4-dimethyl-5-pentylfuran-2-yl)undecanoate

[(2R)-1-[2-(dimethylamino)ethoxy-hydroxyphosphoryl]oxy-3-[9-(3,4-dimethyl-5-propylfuran-2-yl)nonanoyloxy]propan-2-yl] 11-(3,4-dimethyl-5-pentylfuran-2-yl)undecanoate (PubChem CID 131821822) has the molecular formula C47H82NO10P and a molecular weight of 852.14 g/mol. Its IUPAC name is [(2R)-1-[2-(dimethylamino)ethoxy-hydroxyphosphoryl]oxy-3-[9-(3,4-dimethyl-5-propylfuran-2-yl)nonanoyloxy]propan-2-yl] 11-(3,4-dimethyl-5-pentylfuran-2-yl)undecanoate.

Molecular Properties

• Compound Name: [(2R)-1-[2-(dimethylamino)ethoxy-hydroxyphosphoryl]oxy-3-[9-(3,4-dimethyl-5-propylfuran-2-yl)nonanoyloxy]propan-2-yl] 11-(3,4-dimethyl-5-pentylfuran-2-yl)undecanoate
• PubChem CID: 131821822
• Molecular Formula: C47H82NO10P
• Molecular Weight: 852.14 g/mol
• Exact Mass: 851.57
• IUPAC Name: [(2R)-1-[2-(dimethylamino)ethoxy-hydroxyphosphoryl]oxy-3-[9-(3,4-dimethyl-5-propylfuran-2-yl)nonanoyloxy]propan-2-yl] 11-(3,4-dimethyl-5-pentylfuran-2-yl)undecanoate
• SMILES: CCCCCc1oc(CCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCc2oc(CCC)c(C)c2C)COP(=O)(O)OCCN(C)C)c(C)c1C
• InChI: InChI=1S/C47H82NO10P/c1-9-11-22-28-43-39(5)40(6)45(58-43)30-23-18-14-12-13-15-21-26-32-47(50)56-41(36-55-59(51,52)54-34-33-48(7)8)35-53-46(49)31-25-20-17-16-19-24-29-44-38(4)37(3)42(57-44)27-10-2/h41H,9-36H2,1-8H3,(H,51,52)/t41-/m1/s1
• InChIKey: ARRHMRJXSYXNCG-VQJSHJPSSA-N
• XLogP: 11.97
• TPSA: 137.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 36
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	852.14
LogP ≤ 5	11.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

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 [(2R)-1-[2-(dimethylamino)ethoxy-hydroxyphosphoryl]oxy-3-[9-(3,4-dimethyl-5-propylfuran-2-yl)nonanoyloxy]propan-2-yl] 11-(3,4-dimethyl-5-pentylfuran-2-yl)undecanoate?

The IUPAC name of [(2R)-1-[2-(dimethylamino)ethoxy-hydroxyphosphoryl]oxy-3-[9-(3,4-dimethyl-5-propylfuran-2-yl)nonanoyloxy]propan-2-yl] 11-(3,4-dimethyl-5-pentylfuran-2-yl)undecanoate (CID 131821822) is [(2R)-1-[2-(dimethylamino)ethoxy-hydroxyphosphoryl]oxy-3-[9-(3,4-dimethyl-5-propylfuran-2-yl)nonanoyloxy]propan-2-yl] 11-(3,4-dimethyl-5-pentylfuran-2-yl)undecanoate.

What is the SMILES notation for [(2R)-1-[2-(dimethylamino)ethoxy-hydroxyphosphoryl]oxy-3-[9-(3,4-dimethyl-5-propylfuran-2-yl)nonanoyloxy]propan-2-yl] 11-(3,4-dimethyl-5-pentylfuran-2-yl)undecanoate?

The canonical SMILES for [(2R)-1-[2-(dimethylamino)ethoxy-hydroxyphosphoryl]oxy-3-[9-(3,4-dimethyl-5-propylfuran-2-yl)nonanoyloxy]propan-2-yl] 11-(3,4-dimethyl-5-pentylfuran-2-yl)undecanoate is CCCCCc1oc(CCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCc2oc(CCC)c(C)c2C)COP(=O)(O)OCCN(C)C)c(C)c1C.

What is the InChIKey of [(2R)-1-[2-(dimethylamino)ethoxy-hydroxyphosphoryl]oxy-3-[9-(3,4-dimethyl-5-propylfuran-2-yl)nonanoyloxy]propan-2-yl] 11-(3,4-dimethyl-5-pentylfuran-2-yl)undecanoate?

The InChIKey is ARRHMRJXSYXNCG-VQJSHJPSSA-N. The full InChI is InChI=1S/C47H82NO10P/c1-9-11-22-28-43-39(5)40(6)45(58-43)30-23-18-14-12-13-15-21-26-32-47(50)56-41(36-55-59(51,52)54-34-33-48(7)8)35-53-46(49)31-25-20-17-16-19-24-29-44-38(4)37(3)42(57-44)27-10-2/h41H,9-36H2,1-8H3,(H,51,52)/t41-/m1/s1.

What are the key properties of [(2R)-1-[2-(dimethylamino)ethoxy-hydroxyphosphoryl]oxy-3-[9-(3,4-dimethyl-5-propylfuran-2-yl)nonanoyloxy]propan-2-yl] 11-(3,4-dimethyl-5-pentylfuran-2-yl)undecanoate?

[(2R)-1-[2-(dimethylamino)ethoxy-hydroxyphosphoryl]oxy-3-[9-(3,4-dimethyl-5-propylfuran-2-yl)nonanoyloxy]propan-2-yl] 11-(3,4-dimethyl-5-pentylfuran-2-yl)undecanoate has a molecular weight of 852.14 g/mol, XLogP of 11.97, 36 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-1-[2-(dimethylamino)ethoxy-hydroxyphosphoryl]oxy-3-[9-(3,4-dimethyl-5-propylfuran-2-yl)nonanoyloxy]propan-2-yl] 11-(3,4-dimethyl-5-pentylfuran-2-yl)undecanoate is sourced from PubChem (CID 131821822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).