2-[(1R)-1,2-dimethoxyethyl]-4-hydroxy-3-methoxy-2H-furan-5-one

C₉H₁₄O₆ — CID 135044145

About 2-[(1R)-1,2-dimethoxyethyl]-4-hydroxy-3-methoxy-2H-furan-5-one

2-[(1R)-1,2-dimethoxyethyl]-4-hydroxy-3-methoxy-2H-furan-5-one (PubChem CID 135044145) has the molecular formula C₉H₁₄O₆ and a molecular weight of 218.20 g/mol. Its IUPAC name is 2-[(1R)-1,2-dimethoxyethyl]-4-hydroxy-3-methoxy-2H-furan-5-one.

Molecular Properties

• Compound Name: 2-[(1R)-1,2-dimethoxyethyl]-4-hydroxy-3-methoxy-2H-furan-5-one
• PubChem CID: 135044145
• Molecular Formula: C₉H₁₄O₆
• Molecular Weight: 218.20 g/mol
• Exact Mass: 218.08
• IUPAC Name: 2-[(1R)-1,2-dimethoxyethyl]-4-hydroxy-3-methoxy-2H-furan-5-one
• SMILES: COC[C@@H](OC)C1OC(=O)C(O)=C1OC
• InChI: InChI=1S/C9H14O6/c1-12-4-5(13-2)7-8(14-3)6(10)9(11)15-7/h5,7,10H,4H2,1-3H3/t5-,7?/m1/s1
• InChIKey: ZFJUAJOKOJJONV-FOUAAFFMSA-N
• XLogP: -0.01
• TPSA: 74.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	218.20
LogP ≤ 5	-0.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1,2-dimethoxyethyl]-4-hydroxy-3-methoxy-2H-furan-5-one?

The IUPAC name of 2-[(1R)-1,2-dimethoxyethyl]-4-hydroxy-3-methoxy-2H-furan-5-one (CID 135044145) is 2-[(1R)-1,2-dimethoxyethyl]-4-hydroxy-3-methoxy-2H-furan-5-one.

What is the SMILES notation for 2-[(1R)-1,2-dimethoxyethyl]-4-hydroxy-3-methoxy-2H-furan-5-one?

The canonical SMILES for 2-[(1R)-1,2-dimethoxyethyl]-4-hydroxy-3-methoxy-2H-furan-5-one is COC[C@@H](OC)C1OC(=O)C(O)=C1OC.

What is the InChIKey of 2-[(1R)-1,2-dimethoxyethyl]-4-hydroxy-3-methoxy-2H-furan-5-one?

The InChIKey is ZFJUAJOKOJJONV-FOUAAFFMSA-N. The full InChI is InChI=1S/C9H14O6/c1-12-4-5(13-2)7-8(14-3)6(10)9(11)15-7/h5,7,10H,4H2,1-3H3/t5-,7?/m1/s1.

What are the key properties of 2-[(1R)-1,2-dimethoxyethyl]-4-hydroxy-3-methoxy-2H-furan-5-one?

2-[(1R)-1,2-dimethoxyethyl]-4-hydroxy-3-methoxy-2H-furan-5-one has a molecular weight of 218.20 g/mol, XLogP of -0.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(1R)-1,2-dimethoxyethyl]-4-hydroxy-3-methoxy-2H-furan-5-one is sourced from PubChem (CID 135044145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 135044145 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.