4,5-dihydroxy-5-(hydroxymethyl)-2-oxo-1,3-dioxolane-4-carboxylic acid

C5H6O8 — CID 145410346

IUPAC4,5-dihydroxy-5-(hydroxymethyl)-2-oxo-1,3-dioxolane-4-carboxylic acid
SMILESO=C1OC(O)(CO)C(O)(C(=O)O)O1
InChIInChI=1S/C5H6O8/c6-1-4(10)5(11,2(7)8)13-3(9)12-4/h6,10-11H,1H2,(H,7,8)
InChIKeyQJLVNJQTPVLGIK-UHFFFAOYSA-N
MW194.09 g/mol
LogP-2.39
Rot. Bonds2

About 4,5-dihydroxy-5-(hydroxymethyl)-2-oxo-1,3-dioxolane-4-carboxylic acid

4,5-dihydroxy-5-(hydroxymethyl)-2-oxo-1,3-dioxolane-4-carboxylic acid (PubChem CID 145410346) has the molecular formula C5H6O8 and a molecular weight of 194.09 g/mol. Its IUPAC name is 4,5-dihydroxy-5-(hydroxymethyl)-2-oxo-1,3-dioxolane-4-carboxylic acid.

Molecular Properties

Compound Name4,5-dihydroxy-5-(hydroxymethyl)-2-oxo-1,3-dioxolane-4-carboxylic acid
PubChem CID145410346
Molecular FormulaC5H6O8
Molecular Weight194.09 g/mol
Exact Mass194.01
IUPAC Name4,5-dihydroxy-5-(hydroxymethyl)-2-oxo-1,3-dioxolane-4-carboxylic acid
SMILESO=C1OC(O)(CO)C(O)(C(=O)O)O1
InChIInChI=1S/C5H6O8/c6-1-4(10)5(11,2(7)8)13-3(9)12-4/h6,10-11H,1H2,(H,7,8)
InChIKeyQJLVNJQTPVLGIK-UHFFFAOYSA-N
XLogP-2.39
TPSA133.52 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.09
LogP ≤ 5-2.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4,5-dihydroxy-5-(hydroxymethyl)-2-oxo-1,3-dioxolane-4-carboxylic acid?
The IUPAC name of 4,5-dihydroxy-5-(hydroxymethyl)-2-oxo-1,3-dioxolane-4-carboxylic acid (CID 145410346) is 4,5-dihydroxy-5-(hydroxymethyl)-2-oxo-1,3-dioxolane-4-carboxylic acid.
What is the SMILES notation for 4,5-dihydroxy-5-(hydroxymethyl)-2-oxo-1,3-dioxolane-4-carboxylic acid?
The canonical SMILES for 4,5-dihydroxy-5-(hydroxymethyl)-2-oxo-1,3-dioxolane-4-carboxylic acid is O=C1OC(O)(CO)C(O)(C(=O)O)O1.
What is the InChIKey of 4,5-dihydroxy-5-(hydroxymethyl)-2-oxo-1,3-dioxolane-4-carboxylic acid?
The InChIKey is QJLVNJQTPVLGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O8/c6-1-4(10)5(11,2(7)8)13-3(9)12-4/h6,10-11H,1H2,(H,7,8).
What are the key properties of 4,5-dihydroxy-5-(hydroxymethyl)-2-oxo-1,3-dioxolane-4-carboxylic acid?
4,5-dihydroxy-5-(hydroxymethyl)-2-oxo-1,3-dioxolane-4-carboxylic acid has a molecular weight of 194.09 g/mol, XLogP of -2.39, 2 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydroxy-5-(hydroxymethyl)-2-oxo-1,3-dioxolane-4-carboxylic acid is sourced from PubChem (CID 145410346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).