(4S,5S)-2-oxo-1,3-dioxolane-4,5-dicarboxylic acid

C5H4O7 — CID 102101581

IUPAC(4S,5S)-2-oxo-1,3-dioxolane-4,5-dicarboxylic acid
SMILESO=C1O[C@H](C(=O)O)[C@@H](C(=O)O)O1
InChIInChI=1S/C5H4O7/c6-3(7)1-2(4(8)9)12-5(10)11-1/h1-2H,(H,6,7)(H,8,9)/t1-,2-/m0/s1
InChIKeyUUNNVXZZRMYKHQ-LWMBPPNESA-N
MW176.08 g/mol
LogP-0.94
Rot. Bonds2

About (4S,5S)-2-oxo-1,3-dioxolane-4,5-dicarboxylic acid

(4S,5S)-2-oxo-1,3-dioxolane-4,5-dicarboxylic acid (PubChem CID 102101581) has the molecular formula C5H4O7 and a molecular weight of 176.08 g/mol. Its IUPAC name is (4S,5S)-2-oxo-1,3-dioxolane-4,5-dicarboxylic acid.

Molecular Properties

Compound Name(4S,5S)-2-oxo-1,3-dioxolane-4,5-dicarboxylic acid
PubChem CID102101581
Molecular FormulaC5H4O7
Molecular Weight176.08 g/mol
Exact Mass176.00
IUPAC Name(4S,5S)-2-oxo-1,3-dioxolane-4,5-dicarboxylic acid
SMILESO=C1O[C@H](C(=O)O)[C@@H](C(=O)O)O1
InChIInChI=1S/C5H4O7/c6-3(7)1-2(4(8)9)12-5(10)11-1/h1-2H,(H,6,7)(H,8,9)/t1-,2-/m0/s1
InChIKeyUUNNVXZZRMYKHQ-LWMBPPNESA-N
XLogP-0.94
TPSA110.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.08
LogP ≤ 5-0.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4S,5S)-2-oxo-1,3-dioxolane-4,5-dicarboxylic acid?
The IUPAC name of (4S,5S)-2-oxo-1,3-dioxolane-4,5-dicarboxylic acid (CID 102101581) is (4S,5S)-2-oxo-1,3-dioxolane-4,5-dicarboxylic acid.
What is the SMILES notation for (4S,5S)-2-oxo-1,3-dioxolane-4,5-dicarboxylic acid?
The canonical SMILES for (4S,5S)-2-oxo-1,3-dioxolane-4,5-dicarboxylic acid is O=C1O[C@H](C(=O)O)[C@@H](C(=O)O)O1.
What is the InChIKey of (4S,5S)-2-oxo-1,3-dioxolane-4,5-dicarboxylic acid?
The InChIKey is UUNNVXZZRMYKHQ-LWMBPPNESA-N. The full InChI is InChI=1S/C5H4O7/c6-3(7)1-2(4(8)9)12-5(10)11-1/h1-2H,(H,6,7)(H,8,9)/t1-,2-/m0/s1.
What are the key properties of (4S,5S)-2-oxo-1,3-dioxolane-4,5-dicarboxylic acid?
(4S,5S)-2-oxo-1,3-dioxolane-4,5-dicarboxylic acid has a molecular weight of 176.08 g/mol, XLogP of -0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-2-oxo-1,3-dioxolane-4,5-dicarboxylic acid is sourced from PubChem (CID 102101581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).