2-(2-hydroxypyran-2-carbonyl)oxypyran-2-carboxylic acid

C12H10O7 — CID 123257697

IUPAC2-(2-hydroxypyran-2-carbonyl)oxypyran-2-carboxylic acid
SMILESO=C(OC1(C(=O)O)C=CC=CO1)C1(O)C=CC=CO1
InChIInChI=1S/C12H10O7/c13-9(14)12(6-2-4-8-18-12)19-10(15)11(16)5-1-3-7-17-11/h1-8,16H,(H,13,14)
InChIKeyYFWZNAJWOUZIDZ-UHFFFAOYSA-N
MW266.20 g/mol
LogP0.20
Rot. Bonds3

About 2-(2-hydroxypyran-2-carbonyl)oxypyran-2-carboxylic acid

2-(2-hydroxypyran-2-carbonyl)oxypyran-2-carboxylic acid (PubChem CID 123257697) has the molecular formula C12H10O7 and a molecular weight of 266.20 g/mol. Its IUPAC name is 2-(2-hydroxypyran-2-carbonyl)oxypyran-2-carboxylic acid.

Molecular Properties

Compound Name2-(2-hydroxypyran-2-carbonyl)oxypyran-2-carboxylic acid
PubChem CID123257697
Molecular FormulaC12H10O7
Molecular Weight266.20 g/mol
Exact Mass266.04
IUPAC Name2-(2-hydroxypyran-2-carbonyl)oxypyran-2-carboxylic acid
SMILESO=C(OC1(C(=O)O)C=CC=CO1)C1(O)C=CC=CO1
InChIInChI=1S/C12H10O7/c13-9(14)12(6-2-4-8-18-12)19-10(15)11(16)5-1-3-7-17-11/h1-8,16H,(H,13,14)
InChIKeyYFWZNAJWOUZIDZ-UHFFFAOYSA-N
XLogP0.20
TPSA102.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.20
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(2-hydroxypyran-2-carbonyl)oxypyran-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxypyran-2-carbonyl)oxypyran-2-carboxylic acid?
The IUPAC name of 2-(2-hydroxypyran-2-carbonyl)oxypyran-2-carboxylic acid (CID 123257697) is 2-(2-hydroxypyran-2-carbonyl)oxypyran-2-carboxylic acid.
What is the SMILES notation for 2-(2-hydroxypyran-2-carbonyl)oxypyran-2-carboxylic acid?
The canonical SMILES for 2-(2-hydroxypyran-2-carbonyl)oxypyran-2-carboxylic acid is O=C(OC1(C(=O)O)C=CC=CO1)C1(O)C=CC=CO1.
What is the InChIKey of 2-(2-hydroxypyran-2-carbonyl)oxypyran-2-carboxylic acid?
The InChIKey is YFWZNAJWOUZIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O7/c13-9(14)12(6-2-4-8-18-12)19-10(15)11(16)5-1-3-7-17-11/h1-8,16H,(H,13,14).
What are the key properties of 2-(2-hydroxypyran-2-carbonyl)oxypyran-2-carboxylic acid?
2-(2-hydroxypyran-2-carbonyl)oxypyran-2-carboxylic acid has a molecular weight of 266.20 g/mol, XLogP of 0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxypyran-2-carbonyl)oxypyran-2-carboxylic acid is sourced from PubChem (CID 123257697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).