3,4-diacetyloxy-6-hydroxy-3,4-dihydro-2H-pyran-2-carboxylic acid

C10H12O8 — CID 70326830

IUPAC3,4-diacetyloxy-6-hydroxy-3,4-dihydro-2H-pyran-2-carboxylic acid
SMILESCC(=O)OC1C=C(O)OC(C(=O)O)C1OC(C)=O
InChIInChI=1S/C10H12O8/c1-4(11)16-6-3-7(13)18-9(10(14)15)8(6)17-5(2)12/h3,6,8-9,13H,1-2H3,(H,14,15)
InChIKeyYPNWPDXUWBVVOD-UHFFFAOYSA-N
MW260.20 g/mol
LogP-0.27
Rot. Bonds3

About 3,4-diacetyloxy-6-hydroxy-3,4-dihydro-2H-pyran-2-carboxylic acid

3,4-diacetyloxy-6-hydroxy-3,4-dihydro-2H-pyran-2-carboxylic acid (PubChem CID 70326830) has the molecular formula C10H12O8 and a molecular weight of 260.20 g/mol. Its IUPAC name is 3,4-diacetyloxy-6-hydroxy-3,4-dihydro-2H-pyran-2-carboxylic acid.

Molecular Properties

Compound Name3,4-diacetyloxy-6-hydroxy-3,4-dihydro-2H-pyran-2-carboxylic acid
PubChem CID70326830
Molecular FormulaC10H12O8
Molecular Weight260.20 g/mol
Exact Mass260.05
IUPAC Name3,4-diacetyloxy-6-hydroxy-3,4-dihydro-2H-pyran-2-carboxylic acid
SMILESCC(=O)OC1C=C(O)OC(C(=O)O)C1OC(C)=O
InChIInChI=1S/C10H12O8/c1-4(11)16-6-3-7(13)18-9(10(14)15)8(6)17-5(2)12/h3,6,8-9,13H,1-2H3,(H,14,15)
InChIKeyYPNWPDXUWBVVOD-UHFFFAOYSA-N
XLogP-0.27
TPSA119.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.20
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3,4-diacetyloxy-6-hydroxy-3,4-dihydro-2H-pyran-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 3,4-diacetyloxy-6-hydroxy-3,4-dihydro-2H-pyran-2-carboxylic acid?
The IUPAC name of 3,4-diacetyloxy-6-hydroxy-3,4-dihydro-2H-pyran-2-carboxylic acid (CID 70326830) is 3,4-diacetyloxy-6-hydroxy-3,4-dihydro-2H-pyran-2-carboxylic acid.
What is the SMILES notation for 3,4-diacetyloxy-6-hydroxy-3,4-dihydro-2H-pyran-2-carboxylic acid?
The canonical SMILES for 3,4-diacetyloxy-6-hydroxy-3,4-dihydro-2H-pyran-2-carboxylic acid is CC(=O)OC1C=C(O)OC(C(=O)O)C1OC(C)=O.
What is the InChIKey of 3,4-diacetyloxy-6-hydroxy-3,4-dihydro-2H-pyran-2-carboxylic acid?
The InChIKey is YPNWPDXUWBVVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O8/c1-4(11)16-6-3-7(13)18-9(10(14)15)8(6)17-5(2)12/h3,6,8-9,13H,1-2H3,(H,14,15).
What are the key properties of 3,4-diacetyloxy-6-hydroxy-3,4-dihydro-2H-pyran-2-carboxylic acid?
3,4-diacetyloxy-6-hydroxy-3,4-dihydro-2H-pyran-2-carboxylic acid has a molecular weight of 260.20 g/mol, XLogP of -0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diacetyloxy-6-hydroxy-3,4-dihydro-2H-pyran-2-carboxylic acid is sourced from PubChem (CID 70326830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).