CAS 373614-12-1 Bis(2,5-dioxopyrrolidin-1-yl) 2,2'-oxydiacetate (HCID 51340992)

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Basic information

CAS: 373614-12-1
Standard SMILES: O=C(COCC(=O)ON1C(=O)CCC1=O)ON1C(=O)CCC1=O
InChIKey: PTIALSJRKNBZIO-UHFFFAOYSA-N
Molecular formula: C12H12N2O9
Average molar mass: 328.23 g/mol
Monoisotopic mass: 328.05427996

Names & identifiers

Preferred name: Bis(2,5-dioxopyrrolidin-1-yl) 2,2'-oxydiacetate
IUPAC: (2,5-dioxopyrrolidin-1-yl) 2-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]acetate
English name: Bis-N-succinimidyl diglycolic acid, 2,2-Oxydiacetic acid bis-N-succinimidyl ester
Molecular formula: C12H12N2O9
Molecular weight: 328.232

Names & synonyms

373614-12-1bis(2,5-dioxopyrrolidin-1-yl) 2,2'-oxydiacetateBIS-N-SUCCINIMIDYL DIGLYCOLIC ACIDMFCD13184975Bis-N-succinimidyl diglycolic acid, 2,2-Oxydiacetic acid bis-N-succinimidyl esterSCHEMBL2568708(2,5-dioxopyrrolidin-1-yl) 2-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]acetate2,5-DIOXOPYRROLIDIN-1-YL 2-{2-[(2,5-DIOXOPYRROLIDIN-1-YL)OXY]-2-OXOETHOXY}ACETATED5512F879131,1'-{Oxybis[(1-oxoethane-2,1-diyl)oxy]}di(pyrrolidine-2,5-dione)2,5-Pyrrolidinedione, 1,1'-[oxybis[(1-oxo-2,1-ethanediyl)oxy]]bis-

Show more names

DIG(NHS)2Di(N-succinimidyl) 2,2'-Oxydiacetate2,2'-Oxydiacetic Acid Di(N-succinimidyl) Ester2,2'-Oxydiacetic acid bis-N-succinimidyl esterBis-N-succinimidyl diglycolic acid≥ 98% (Titration)bis(2,5-dioxypyrolidine-1-yl) 2,2'-oxydiacetic acidester2,2'-Oxydiacetic Acid Bis(2,5-dioxopyrrolidin-1-yl) Ester

CHEMBL5994572DTXSID90679825PTIALSJRKNBZIO-UHFFFAOYSA-NUS10543207, Example 1C12H12N2O9YPA61412AKOS027393034AS-86930

Properties

Computed structural properties

XLogP: -1.9
Topological polar surface area: 137 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 9
Rotatable bonds: 8
Heavy atoms: 23
Formal charge: 0
Complexity: 503

Physicochemical properties

Boiling point: 476.8 · 476.8±55.0 °C(Predicted)
Density: 1.61 · 1.61±0.1 g/cm3(Predicted)
InChI: InChI=1S/C12H12N2O9/c15-7-1-2-8(16)13(7)22-11(19)5-21-6-12(20)23-14-9(17)3-4-10(14)18/h1-6H2
InChIKey: PTIALSJRKNBZIO-UHFFFAOYSA-N
SMILES: O(CC(ON1C(=O)CCC1=O)=O)CC(ON1C(=O)CCC1=O)=O
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 280 · P280-P304+P340-P305+P351+P338
HS Code: 2928009090 · 2928009090