2-[2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethoxy]acetaldehyde

C8H10O7 — CID 54699093

IUPAC2-[2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethoxy]acetaldehyde
SMILESO=CCOCC(O)C1OC(=O)C(O)=C1O
InChIInChI=1S/C8H10O7/c9-1-2-14-3-4(10)7-5(11)6(12)8(13)15-7/h1,4,7,10-12H,2-3H2
InChIKeyNJRWILXVHVNYCL-UHFFFAOYSA-N
MW218.16 g/mol
LogP-1.18
Rot. Bonds5

About 2-[2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethoxy]acetaldehyde

2-[2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethoxy]acetaldehyde (PubChem CID 54699093) has the molecular formula C8H10O7 and a molecular weight of 218.16 g/mol. Its IUPAC name is 2-[2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethoxy]acetaldehyde.

Molecular Properties

Compound Name2-[2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethoxy]acetaldehyde
PubChem CID54699093
Molecular FormulaC8H10O7
Molecular Weight218.16 g/mol
Exact Mass218.04
IUPAC Name2-[2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethoxy]acetaldehyde
SMILESO=CCOCC(O)C1OC(=O)C(O)=C1O
InChIInChI=1S/C8H10O7/c9-1-2-14-3-4(10)7-5(11)6(12)8(13)15-7/h1,4,7,10-12H,2-3H2
InChIKeyNJRWILXVHVNYCL-UHFFFAOYSA-N
XLogP-1.18
TPSA113.29 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.16
LogP ≤ 5-1.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethoxy]acetaldehyde?
The IUPAC name of 2-[2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethoxy]acetaldehyde (CID 54699093) is 2-[2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethoxy]acetaldehyde.
What is the SMILES notation for 2-[2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethoxy]acetaldehyde?
The canonical SMILES for 2-[2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethoxy]acetaldehyde is O=CCOCC(O)C1OC(=O)C(O)=C1O.
What is the InChIKey of 2-[2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethoxy]acetaldehyde?
The InChIKey is NJRWILXVHVNYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O7/c9-1-2-14-3-4(10)7-5(11)6(12)8(13)15-7/h1,4,7,10-12H,2-3H2.
What are the key properties of 2-[2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethoxy]acetaldehyde?
2-[2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethoxy]acetaldehyde has a molecular weight of 218.16 g/mol, XLogP of -1.18, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethoxy]acetaldehyde is sourced from PubChem (CID 54699093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).