[(2R)-1-[9-(3,4-dimethyl-5-propylfuran-2-yl)nonanoyloxy]-3-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxypropan-2-yl] 9-(3-methyl-5-pentylfuran-2-yl)nonanoate

C43H74NO10P — CID 131820930

About [(2R)-1-[9-(3,4-dimethyl-5-propylfuran-2-yl)nonanoyloxy]-3-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxypropan-2-yl] 9-(3-methyl-5-pentylfuran-2-yl)nonanoate

[(2R)-1-[9-(3,4-dimethyl-5-propylfuran-2-yl)nonanoyloxy]-3-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxypropan-2-yl] 9-(3-methyl-5-pentylfuran-2-yl)nonanoate (PubChem CID 131820930) has the molecular formula C43H74NO10P and a molecular weight of 796.04 g/mol. Its IUPAC name is [(2R)-1-[9-(3,4-dimethyl-5-propylfuran-2-yl)nonanoyloxy]-3-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxypropan-2-yl] 9-(3-methyl-5-pentylfuran-2-yl)nonanoate.

Molecular Properties

• Compound Name: [(2R)-1-[9-(3,4-dimethyl-5-propylfuran-2-yl)nonanoyloxy]-3-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxypropan-2-yl] 9-(3-methyl-5-pentylfuran-2-yl)nonanoate
• PubChem CID: 131820930
• Molecular Formula: C43H74NO10P
• Molecular Weight: 796.04 g/mol
• Exact Mass: 795.51
• IUPAC Name: [(2R)-1-[9-(3,4-dimethyl-5-propylfuran-2-yl)nonanoyloxy]-3-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxypropan-2-yl] 9-(3-methyl-5-pentylfuran-2-yl)nonanoate
• SMILES: CCCCCc1cc(C)c(CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCc2oc(CCC)c(C)c2C)COP(=O)(O)OCCNC)o1
• InChI: InChI=1S/C43H74NO10P/c1-7-9-18-24-37-31-34(3)39(52-37)25-19-14-10-13-17-22-28-43(46)53-38(33-51-55(47,48)50-30-29-44-6)32-49-42(45)27-21-16-12-11-15-20-26-41-36(5)35(4)40(54-41)23-8-2/h31,38,44H,7-30,32-33H2,1-6H3,(H,47,48)/t38-/m1/s1
• InChIKey: INEYWOOCCWQTKU-KXQOOQHDSA-N
• XLogP: 10.54
• TPSA: 146.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 34
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	796.04
LogP ≤ 5	10.54
H-Bond Donors ≤ 5	2
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-[9-(3,4-dimethyl-5-propylfuran-2-yl)nonanoyloxy]-3-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxypropan-2-yl] 9-(3-methyl-5-pentylfuran-2-yl)nonanoate?

The IUPAC name of [(2R)-1-[9-(3,4-dimethyl-5-propylfuran-2-yl)nonanoyloxy]-3-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxypropan-2-yl] 9-(3-methyl-5-pentylfuran-2-yl)nonanoate (CID 131820930) is [(2R)-1-[9-(3,4-dimethyl-5-propylfuran-2-yl)nonanoyloxy]-3-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxypropan-2-yl] 9-(3-methyl-5-pentylfuran-2-yl)nonanoate.

What is the SMILES notation for [(2R)-1-[9-(3,4-dimethyl-5-propylfuran-2-yl)nonanoyloxy]-3-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxypropan-2-yl] 9-(3-methyl-5-pentylfuran-2-yl)nonanoate?

The canonical SMILES for [(2R)-1-[9-(3,4-dimethyl-5-propylfuran-2-yl)nonanoyloxy]-3-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxypropan-2-yl] 9-(3-methyl-5-pentylfuran-2-yl)nonanoate is CCCCCc1cc(C)c(CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCc2oc(CCC)c(C)c2C)COP(=O)(O)OCCNC)o1.

What is the InChIKey of [(2R)-1-[9-(3,4-dimethyl-5-propylfuran-2-yl)nonanoyloxy]-3-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxypropan-2-yl] 9-(3-methyl-5-pentylfuran-2-yl)nonanoate?

The InChIKey is INEYWOOCCWQTKU-KXQOOQHDSA-N. The full InChI is InChI=1S/C43H74NO10P/c1-7-9-18-24-37-31-34(3)39(52-37)25-19-14-10-13-17-22-28-43(46)53-38(33-51-55(47,48)50-30-29-44-6)32-49-42(45)27-21-16-12-11-15-20-26-41-36(5)35(4)40(54-41)23-8-2/h31,38,44H,7-30,32-33H2,1-6H3,(H,47,48)/t38-/m1/s1.

What are the key properties of [(2R)-1-[9-(3,4-dimethyl-5-propylfuran-2-yl)nonanoyloxy]-3-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxypropan-2-yl] 9-(3-methyl-5-pentylfuran-2-yl)nonanoate?

[(2R)-1-[9-(3,4-dimethyl-5-propylfuran-2-yl)nonanoyloxy]-3-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxypropan-2-yl] 9-(3-methyl-5-pentylfuran-2-yl)nonanoate has a molecular weight of 796.04 g/mol, XLogP of 10.54, 34 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-1-[9-(3,4-dimethyl-5-propylfuran-2-yl)nonanoyloxy]-3-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxypropan-2-yl] 9-(3-methyl-5-pentylfuran-2-yl)nonanoate is sourced from PubChem (CID 131820930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).