(S)-(+)-5-Oxo-2-tetrahydrofurancarboxylic Acid - CAS 21461-84-7
Catalog: |
BB016883 |
Product Name: |
(S)-(+)-5-Oxo-2-tetrahydrofurancarboxylic Acid |
CAS: |
21461-84-7 |
Synonyms: |
(2S)-5-oxo-2-oxolanecarboxylic acid; (2S)-5-oxooxolane-2-carboxylic acid |
IUPAC Name: | (2S)-5-oxooxolane-2-carboxylic acid |
Description: | (S)-(+)-5-Oxo-2-tetrahydrofurancarboxylic Acid (CAS# 21461-84-7) is a compound useful in organic synthesis. |
Molecular Weight: | 130.10 |
Molecular Formula: | C5H6O4 |
Canonical SMILES: | C1CC(=O)OC1C(=O)O |
InChI: | InChI=1S/C5H6O4/c6-4-2-1-3(9-4)5(7)8/h3H,1-2H2,(H,7,8)/t3-/m0/s1 |
InChI Key: | QVADRSWDTZDDGR-VKHMYHEASA-N |
Boiling Point: | 384.2 °C / 760 mmHg |
Melting Point: | 72 °C |
Purity: | ≥ 98 % |
Density: | 1.469 g/cm3 |
Appearance: | Powder or crystals |
Storage: | Sealed in dry. Inert atmosphere. Keep cold. |
MDL: | MFCD00064516 |
LogP: | -0.22340 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
18832304 | 20081001 | The PA4204 gene encodes a periplasmic gluconolactonase (PpgL) which is important for fitness of Pseudomonas aeruginosa | Microbiology (Reading, England) |
16328442 | 20060801 | Cloning, sequencing, and heterologous expression of an Erwinia cypripedii 314B lactonase specific for L-alpha-hydroxyglutaric acid gamma-lactone | Applied microbiology and biotechnology |
11491083 | 20010601 | Purification and characterization of a lactonase from Burkholderia sp. R-711, that hydrolyzes (R)-5-oxo-2-tetrahydrofurancarboxylic acid | Archives of microbiology |
Complexity: | 151 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 130.02660867 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 130.02660867 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 63.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.2 |
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