Basic information
- CAS
53558-93-3- Standard SMILES
O=C1CC[C@H](C(=O)O)O1- InChIKey
QVADRSWDTZDDGR-GSVOUGTGSA-N- Molecular formula
- C5H6O4
- Average molar mass
- 130.1 g/mol
- Monoisotopic mass
- 130.02660867
Names & identifiers
- Preferred name
- (R)-5-oxo-2-tetrahydrofurancarboxylic acid
- IUPAC
- (2R)-5-oxooxolane-2-carboxylic acid
- English name
- (R)-(-)-5-Oxotetrahydrofuran-2-carboxylic acid
- Molecular formula
- C5H6O4
- Molecular weight
- 130.1
Names & synonyms
(r)-5-oxo-2-tetrahydrofurancarboxylic acidRefChem:47276353558-93-3(R)-5-Oxotetrahydrofuran-2-carboxylic acid(R)-(-)-5-Oxotetrahydrofuran-2-carboxylic Acid(2R)-5-oxooxolane-2-carboxylic acid2-Furancarboxylic acid, tetrahydro-5-oxo-, (2R)-(R)-(-)-5-Oxotetrahydrofuran-2-carboxylicAcidMFCD00011567(R)-5-oxotetrahydrofuran-2-carboxylicacid(R)-(-)-5-Oxo-2-tetrahydrofuroic Acid(R)-(-)-gamma-Carboxy-gamma-butyrolactone
Show more names
5-oxo-2-tetrahydrofurancarboxylic acid(2R)-5-Oxotetrahydro-2-furancarboxylic acid(R)-tetrahydro-5-oxo-2-furancarboxylic acid(theta)-2-furancarboxylicaci(r)-γ-carboxy-γ-butyrolactone5-Oxo-tetrahydro-furan-2-carboxylic(2R)-5-Oxooxolane-2β-carboxylic acid(R)-GAMMA-CARBOXY-GAMMA-BUTYROLACTONE
O0281(R)-(-)-5-Oxo-2-tetrahydrofurancarboxylic acid(R)-Tetrahydro-5-oxo-2-furancarboxylic Acid; (2R)-Tetrahydro-5-oxofuran-2-carboxylic Acid; (R)-(-)-5-Oxo-2-tetrahydrofurancarboxylic Acid; (R)-5-Oxo-2-tetrahydrofurancarboxylic acid; (R)-5-Oxotetrahydrofuran-2-carboxylic Acid; (R)-Tetrahydro-5-oxo-2-furancarboxylic Acid(2R)-5-oxotetrahydrofuran-2-carboxylic acidSCHEMBL122685-Furancarboxylic acid, tetrahydro-2-oxo-, (R)-(-)-DTXSID80886061QVADRSWDTZDDGR-GSVOUGTGSA-N
Database identifiers
- CAS
53558-93-3- PubChem CID
- 104532
- DTXSID
DTXSID80886061- EC Number
- 627-375-9
- Nikkaji
- J429.222G
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 151
Physicochemical properties
- Melting point
- 71 · 71-73 °C (lit.)
- Boiling point
- 165 · 165-167 °C/0.3 mmHg (lit.)
- alpha
- -14 ° · -14°(D/20℃) (c=5, メタノール)
- Density
- 1.3985 · 1.3985 (rough estimate)
- refractive index
- 1.58 · 1.5800 (estimate)
- storage temp.
- Inert atmosphere,Room Temperature
- form
- solid
- pka
- 3.11 · 3.11±0.20(Predicted)
- Appearance
- White to light yellow Solid
- optical activity
- 20 · [α]20/D 14°, c = 5 in methanol
- BRN
- 1424499 · 1424499
- InChI
- InChI=1S/C5H6O4/c6-4-2-1-3(9-4)5(7)8/h3H,1-2H2,(H,7,8)/t3-/m1/s1
- InChIKey
- QVADRSWDTZDDGR-GSVOUGTGSA-N
- SMILES
- O1C(=O)CC[C@@H]1C(O)=O
- CAS DataBase Reference
- 53558 · 53558-93-3(CAS DataBase Reference)
- EPA Substance Registry System
- 2 · 2-Furancarboxylic acid, tetrahydro-5-oxo-, (2R)- (53558-93-3)
- UNSPSC Code
- 12352005 · 12352005
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
- HS Code
- 29321900 · 29321900
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29321900
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Furancarboxylic acid, tetrahydro-5-oxo-, (2R)-: INACTIVE
Applications
Uses(R)-5-Oxotetrahydrofuran-2-carboxylic Acid is an intermediate used to synthesize 2'',3''-dideoxy-4''-selenonucleosides as potential antiviral agents.
General Description(R)-()-5-Oxo-2-tetrahydrofurancarboxylic acid belongs to the class of furans, considered as heterocyclic building blocks. It is used as an HPLC derivatization reagent for UV/Vis detection.
Upstream & downstream products
Upstream raw materials
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Related reactions
2 records
Compound notes
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