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57296-03-4 molecular structure
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bis(2,5-dioxopyrrolidin-1-yl) oxalate

ChemBase ID: 146931
Molecular Formular: C10H8N2O8
Molecular Mass: 284.17912
Monoisotopic Mass: 284.02806523
SMILES and InChIs

SMILES:
C1CC(=O)N(C1=O)OC(=O)C(=O)ON1C(=O)CCC1=O
Canonical SMILES:
O=C(C(=O)ON1C(=O)CCC1=O)ON1C(=O)CCC1=O
InChI:
InChI=1S/C10H8N2O8/c13-5-1-2-6(14)11(5)19-9(17)10(18)20-12-7(15)3-4-8(12)16/h1-4H2
InChIKey:
OMAHFYGHUQSIEF-UHFFFAOYSA-N

Cite this record

CBID:146931 http://www.chembase.cn/molecule-146931.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
bis(2,5-dioxopyrrolidin-1-yl) oxalate
IUPAC Traditional name
bis(2,5-dioxopyrrolidin-1-yl) oxalate
Synonyms
DSO
N,N′-Disuccinimidyl oxalate
Di(N-succinimidyl) oxalate
N,N′-Disuccinimidyl oxalate
Di(N-succinimidyl) oxalate
N,N′-二琥珀酰亚胺基草酸
二(N-琥珀酰亚胺基)草酸
N,N′-二琥珀酰亚胺基草酸
二(N-琥珀酰亚胺基)草酸
CAS Number
57296-03-4
MDL Number
MFCD00011730
Beilstein Number
4562450
PubChem SID
24858421
162241123
24886875
PubChem CID
5004084

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 5004084 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 17.378426  H Acceptors
H Donor LogD (pH = 5.5) -1.0579141 
LogD (pH = 7.4) -1.0579141  Log P -1.0579141 
Molar Refractivity 55.5462 cm3 Polarizability 22.366005 Å3
Polar Surface Area 127.36 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
239 °C (dec.)(lit.) expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
≥97.0% (T) expand Show data source
85% expand Show data source
Grade
purum expand Show data source
Empirical Formula (Hill Notation)
C10H8N2O8 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 305308 external link
Other Notes
Remainder disuccinimidyl carbonate
Packaging
5 g in glass bottle
Sigma Aldrich - 75755 external link
Other Notes
Reagent for preparing active esters of N-protected amino acids and for the preparation of protected dipeptides in good yields1,2

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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