[3,5-dihydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] hypoiodite

C18H31IO16 — CID 163618376

About [3,5-dihydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] hypoiodite

[3,5-dihydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] hypoiodite (PubChem CID 163618376) has the molecular formula C18H31IO16 and a molecular weight of 630.33 g/mol. Its IUPAC name is [3,5-dihydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] hypoiodite.

Molecular Properties

• Compound Name: [3,5-dihydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] hypoiodite
• PubChem CID: 163618376
• Molecular Formula: C18H31IO16
• Molecular Weight: 630.33 g/mol
• Exact Mass: 630.07
• IUPAC Name: [3,5-dihydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] hypoiodite
• SMILES: OCC1OC(OCC2OC(OI)C(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C(O)C(O)C1O
• InChI: InChI=1S/C18H31IO16/c19-35-18-14(29)15(34-17-13(28)11(26)8(23)5(2-21)32-17)9(24)6(33-18)3-30-16-12(27)10(25)7(22)4(1-20)31-16/h4-18,20-29H,1-3H2
• InChIKey: HLYHYBCTNCRNQH-UHFFFAOYSA-N
• XLogP: -6.20
• TPSA: 257.68 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 16
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	630.33
LogP ≤ 5	-6.20
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [3,5-dihydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] hypoiodite?

The IUPAC name of [3,5-dihydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] hypoiodite (CID 163618376) is [3,5-dihydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] hypoiodite.

What is the SMILES notation for [3,5-dihydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] hypoiodite?

The canonical SMILES for [3,5-dihydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] hypoiodite is OCC1OC(OCC2OC(OI)C(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C(O)C(O)C1O.

What is the InChIKey of [3,5-dihydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] hypoiodite?

The InChIKey is HLYHYBCTNCRNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31IO16/c19-35-18-14(29)15(34-17-13(28)11(26)8(23)5(2-21)32-17)9(24)6(33-18)3-30-16-12(27)10(25)7(22)4(1-20)31-16/h4-18,20-29H,1-3H2.

What are the key properties of [3,5-dihydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] hypoiodite?

[3,5-dihydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] hypoiodite has a molecular weight of 630.33 g/mol, XLogP of -6.20, 8 rotatable bonds, 10 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for [3,5-dihydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] hypoiodite is sourced from PubChem (CID 163618376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).