4-[[3,4,5-trihydroxy-6-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(5-hydroxypentoxy)oxan-2-yl]methoxy]oxan-2-yl]oxyoxan-2-yl]methoxy]butoxyphosphinous acid

C26H49O19P — CID 155725372

About 4-[[3,4,5-trihydroxy-6-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(5-hydroxypentoxy)oxan-2-yl]methoxy]oxan-2-yl]oxyoxan-2-yl]methoxy]butoxyphosphinous acid

4-[[3,4,5-trihydroxy-6-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(5-hydroxypentoxy)oxan-2-yl]methoxy]oxan-2-yl]oxyoxan-2-yl]methoxy]butoxyphosphinous acid (PubChem CID 155725372) has the molecular formula C26H49O19P and a molecular weight of 696.63 g/mol. Its IUPAC name is 4-[[3,4,5-trihydroxy-6-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(5-hydroxypentoxy)oxan-2-yl]methoxy]oxan-2-yl]oxyoxan-2-yl]methoxy]butoxyphosphinous acid.

Molecular Properties

• Compound Name: 4-[[3,4,5-trihydroxy-6-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(5-hydroxypentoxy)oxan-2-yl]methoxy]oxan-2-yl]oxyoxan-2-yl]methoxy]butoxyphosphinous acid
• PubChem CID: 155725372
• Molecular Formula: C26H49O19P
• Molecular Weight: 696.63 g/mol
• Exact Mass: 696.26
• IUPAC Name: 4-[[3,4,5-trihydroxy-6-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(5-hydroxypentoxy)oxan-2-yl]methoxy]oxan-2-yl]oxyoxan-2-yl]methoxy]butoxyphosphinous acid
• SMILES: OCCCCCOC1OC(COC2OC(OC3OC(COCCCCOPO)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O
• InChI: InChI=1S/C26H49O19P/c27-6-2-1-3-8-39-23-19(33)16(30)15(29)13(42-23)11-40-24-20(34)18(32)22(36)26(44-24)45-25-21(35)17(31)14(28)12(43-25)10-38-7-4-5-9-41-46-37/h12-37,46H,1-11H2
• InChIKey: ANQZFNHYONZMFI-UHFFFAOYSA-N
• XLogP: -5.11
• TPSA: 296.37 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 19
• Rotatable Bonds: 19
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	696.63
LogP ≤ 5	-5.11
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	19

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 4-[[3,4,5-trihydroxy-6-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(5-hydroxypentoxy)oxan-2-yl]methoxy]oxan-2-yl]oxyoxan-2-yl]methoxy]butoxyphosphinous acid?

The IUPAC name of 4-[[3,4,5-trihydroxy-6-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(5-hydroxypentoxy)oxan-2-yl]methoxy]oxan-2-yl]oxyoxan-2-yl]methoxy]butoxyphosphinous acid (CID 155725372) is 4-[[3,4,5-trihydroxy-6-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(5-hydroxypentoxy)oxan-2-yl]methoxy]oxan-2-yl]oxyoxan-2-yl]methoxy]butoxyphosphinous acid.

What is the SMILES notation for 4-[[3,4,5-trihydroxy-6-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(5-hydroxypentoxy)oxan-2-yl]methoxy]oxan-2-yl]oxyoxan-2-yl]methoxy]butoxyphosphinous acid?

The canonical SMILES for 4-[[3,4,5-trihydroxy-6-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(5-hydroxypentoxy)oxan-2-yl]methoxy]oxan-2-yl]oxyoxan-2-yl]methoxy]butoxyphosphinous acid is OCCCCCOC1OC(COC2OC(OC3OC(COCCCCOPO)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O.

What is the InChIKey of 4-[[3,4,5-trihydroxy-6-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(5-hydroxypentoxy)oxan-2-yl]methoxy]oxan-2-yl]oxyoxan-2-yl]methoxy]butoxyphosphinous acid?

The InChIKey is ANQZFNHYONZMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H49O19P/c27-6-2-1-3-8-39-23-19(33)16(30)15(29)13(42-23)11-40-24-20(34)18(32)22(36)26(44-24)45-25-21(35)17(31)14(28)12(43-25)10-38-7-4-5-9-41-46-37/h12-37,46H,1-11H2.

What are the key properties of 4-[[3,4,5-trihydroxy-6-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(5-hydroxypentoxy)oxan-2-yl]methoxy]oxan-2-yl]oxyoxan-2-yl]methoxy]butoxyphosphinous acid?

4-[[3,4,5-trihydroxy-6-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(5-hydroxypentoxy)oxan-2-yl]methoxy]oxan-2-yl]oxyoxan-2-yl]methoxy]butoxyphosphinous acid has a molecular weight of 696.63 g/mol, XLogP of -5.11, 19 rotatable bonds, 11 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[3,4,5-trihydroxy-6-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(5-hydroxypentoxy)oxan-2-yl]methoxy]oxan-2-yl]oxyoxan-2-yl]methoxy]butoxyphosphinous acid is sourced from PubChem (CID 155725372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).