Basic information
- CAS
144-16-1- Standard SMILES
O=C(O)CC1(CC(=O)O)OCOC1=O- InChIKey
PXPMCAKTYKAROX-UHFFFAOYSA-N- Molecular formula
- C7H8O7
- Average molar mass
- 204.13 g/mol
- Monoisotopic mass
- 204.02700259
Names & identifiers
- Preferred name
- 5-Oxo-1,3-dioxolane-4,4-diacetic acid
- IUPAC
- 2-[4-(carboxymethyl)-5-oxo-1,3-dioxolan-4-yl]acetic acid
- English name
- 5-oxo-1,3-dioxolan-4-ylidenedi(acetic acid)
- Molecular formula
- C7H8O7
- Molecular weight
- 204.13
Names & synonyms
144-16-1ANHYDROMETHYLENECITRIC ACID5-Oxo-1,3-dioxolane-4,4-diacetic acidNSC-6861499197U4E9KDTXSID60162592RefChem:1073199DTXCID5085083205-618-62,2'-(5-oxo-1,3-dioxolane-4,4-diyl)diacetic acid2-[4-(carboxymethyl)-5-oxo-1,3-dioxolan-4-yl]acetic acid1,3-Dioxolane-4,4-diacetic acid, 5-oxo-
Show more names
PXPMCAKTYKAROX-UHFFFAOYSA-N3-Dioxolane-4,4-diaceticacid, 5-oxo-2,2’-(5-Oxo-1,3-dioxolane-4,4-diyl)diacetic Acid
5-Oxo-1,3-dioxolan-4-ylidenedi(acetic acid)MFCD193021631,3-Dioxolane-4,4-diaceticacid, 5-oxo-UNII-99197U4E9Kbeta-(Hydroxymethoxy)-tricarballylic acid gamma-Lactone; Anhydromethylenecitric Acid; Methylenecitric Acid; NSC 68614EINECS 205-618-6starbld0026207Anhydromethylene Citric Acid
Database identifiers
- CAS
144-16-1- PubChem CID
- 8945
- DTXSID
DTXSID60162592- UNII
- 99197U4E9K
- EC Number
- 205-618-6
Properties
Computed structural properties
- XLogP
- -1.3
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 266
Physicochemical properties
- Melting point
- 208 · 208-214oC
- Boiling point
- 302.61 °C · 302.61°C (rough estimate)
- Density
- 1.5542 · 1.5542 (rough estimate)
- refractive index
- 1.6 · 1.6000 (estimate)
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 3.66 · 3.66±0.10(Predicted)
- color
- White to Off-White
- Water Solubility
- 47.7 g/L · 47.7g/L(20 ºC)
- FDA UNII
- 99197 U4E9K · 99197U4E9K
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Uses5-Oxo-1,3-dioxolane-4,4-diacetic Acid is used as a reagent to synthesize vibrioferrin, a siderophore. It can also be used as a building block of lipophilic isosteres of nucleoside triphosphates which are potential inhibitors of HIV reverse transcriptase.
Upstream & downstream products
Upstream raw materials
Suppliers11 total
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
四川普西奥标物科技有限公司13540909846 13882008651 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
Aladdin Scientific[email protected]
苏州拜傲克生物科技有限公司18626188356 · [email protected]
Related reactions
5 records
Compound notes
Loading…