2-[3,4-dihydroxy-5-(hydroxymethyl)-2-[[2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

C17H30O16 — CID 78391302

About 2-[3,4-dihydroxy-5-(hydroxymethyl)-2-[[2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

2-[3,4-dihydroxy-5-(hydroxymethyl)-2-[[2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 78391302) has the molecular formula C17H30O16 and a molecular weight of 490.41 g/mol. Its IUPAC name is 2-[3,4-dihydroxy-5-(hydroxymethyl)-2-[[2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

• Compound Name: 2-[3,4-dihydroxy-5-(hydroxymethyl)-2-[[2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
• PubChem CID: 78391302
• Molecular Formula: C17H30O16
• Molecular Weight: 490.41 g/mol
• Exact Mass: 490.15
• IUPAC Name: 2-[3,4-dihydroxy-5-(hydroxymethyl)-2-[[2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
• SMILES: OCC1OC(OC2(COC3(O)OC(CO)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O
• InChI: InChI=1S/C17H30O16/c18-1-5-8(21)11(24)12(25)15(30-5)33-16(13(26)9(22)6(2-19)31-16)4-29-17(28)14(27)10(23)7(3-20)32-17/h5-15,18-28H,1-4H2
• InChIKey: WKVUDSJSOXZCJX-UHFFFAOYSA-N
• XLogP: -7.61
• TPSA: 268.68 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 16
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	490.41
LogP ≤ 5	-7.61
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 2-[3,4-dihydroxy-5-(hydroxymethyl)-2-[[2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol (CID 78391302) is 2-[3,4-dihydroxy-5-(hydroxymethyl)-2-[[2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol.

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

The canonical SMILES for 2-[3,4-dihydroxy-5-(hydroxymethyl)-2-[[2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol is OCC1OC(OC2(COC3(O)OC(CO)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O.

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

The InChIKey is WKVUDSJSOXZCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O16/c18-1-5-8(21)11(24)12(25)15(30-5)33-16(13(26)9(22)6(2-19)31-16)4-29-17(28)14(27)10(23)7(3-20)32-17/h5-15,18-28H,1-4H2.

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

2-[3,4-dihydroxy-5-(hydroxymethyl)-2-[[2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 490.41 g/mol, XLogP of -7.61, 8 rotatable bonds, 11 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3,4-dihydroxy-5-(hydroxymethyl)-2-[[2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 78391302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).