(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-3-[1-(2-hydroxydecoxy)propan-2-ylperoxy]-2H-furan-5-one

C19H34O9 — CID 87499145

About (2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-3-[1-(2-hydroxydecoxy)propan-2-ylperoxy]-2H-furan-5-one

(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-3-[1-(2-hydroxydecoxy)propan-2-ylperoxy]-2H-furan-5-one (PubChem CID 87499145) has the molecular formula C19H34O9 and a molecular weight of 406.47 g/mol. Its IUPAC name is (2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-3-[1-(2-hydroxydecoxy)propan-2-ylperoxy]-2H-furan-5-one.

Molecular Properties

• Compound Name: (2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-3-[1-(2-hydroxydecoxy)propan-2-ylperoxy]-2H-furan-5-one
• PubChem CID: 87499145
• Molecular Formula: C19H34O9
• Molecular Weight: 406.47 g/mol
• Exact Mass: 406.22
• IUPAC Name: (2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-3-[1-(2-hydroxydecoxy)propan-2-ylperoxy]-2H-furan-5-one
• SMILES: CCCCCCCCC(O)COCC(C)OOC1=C(O)C(=O)O[C@@H]1[C@@H](O)CO
• InChI: InChI=1S/C19H34O9/c1-3-4-5-6-7-8-9-14(21)12-25-11-13(2)27-28-18-16(23)19(24)26-17(18)15(22)10-20/h13-15,17,20-23H,3-12H2,1-2H3/t13?,14?,15-,17+/m0/s1
• InChIKey: WBRSDZKIGWVQAL-UMPYDWHISA-N
• XLogP: 1.50
• TPSA: 134.91 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 16
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.47
LogP ≤ 5	1.50
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-3-[1-(2-hydroxydecoxy)propan-2-ylperoxy]-2H-furan-5-one?

The IUPAC name of (2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-3-[1-(2-hydroxydecoxy)propan-2-ylperoxy]-2H-furan-5-one (CID 87499145) is (2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-3-[1-(2-hydroxydecoxy)propan-2-ylperoxy]-2H-furan-5-one.

What is the SMILES notation for (2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-3-[1-(2-hydroxydecoxy)propan-2-ylperoxy]-2H-furan-5-one?

The canonical SMILES for (2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-3-[1-(2-hydroxydecoxy)propan-2-ylperoxy]-2H-furan-5-one is CCCCCCCCC(O)COCC(C)OOC1=C(O)C(=O)O[C@@H]1[C@@H](O)CO.

What is the InChIKey of (2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-3-[1-(2-hydroxydecoxy)propan-2-ylperoxy]-2H-furan-5-one?

The InChIKey is WBRSDZKIGWVQAL-UMPYDWHISA-N. The full InChI is InChI=1S/C19H34O9/c1-3-4-5-6-7-8-9-14(21)12-25-11-13(2)27-28-18-16(23)19(24)26-17(18)15(22)10-20/h13-15,17,20-23H,3-12H2,1-2H3/t13?,14?,15-,17+/m0/s1.

What are the key properties of (2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-3-[1-(2-hydroxydecoxy)propan-2-ylperoxy]-2H-furan-5-one?

(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-3-[1-(2-hydroxydecoxy)propan-2-ylperoxy]-2H-furan-5-one has a molecular weight of 406.47 g/mol, XLogP of 1.50, 16 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-3-[1-(2-hydroxydecoxy)propan-2-ylperoxy]-2H-furan-5-one is sourced from PubChem (CID 87499145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).