C,C'-(Sulfonyldi-2,1-ethanediyl) bis(C-(2,5-dioxo-1-pyrrolidinyl) carbonate)
Basic information
- CAS
57683-72-4- Standard SMILES
O=C(OCCS(=O)(=O)CCOC(=O)ON1C(=O)CCC1=O)ON1C(=O)CCC1=O- InChIKey
XUDGDVPXDYGCTG-UHFFFAOYSA-N- Molecular formula
- C14H16N2O12S
- Average molar mass
- 436.35 g/mol
- Monoisotopic mass
- 436.04239512
Overview
bifunctional reagent for intramolecular crosslinking of insulin; structure
Names & identifiers
- Preferred name
- C,C'-(Sulfonyldi-2,1-ethanediyl) bis(C-(2,5-dioxo-1-pyrrolidinyl) carbonate)
- IUPAC
- (2,5-dioxopyrrolidin-1-yl) 2-[2-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxyethylsulfonyl]ethyl carbonate
- English name
- Bis[2-(succiniMidooxycarbonyloxy)ethyl] Sulfone
- Molecular formula
- C14H16N2O12S
- Molecular weight
- 436.35
Names & synonyms
57683-72-4Bis(2-(succinimidooxycarbonyloxy)ethyl)sulfoneBis[2-(succinimidooxycarbonyloxy)ethyl]sulfoneDTXSID20206385SES sulfoneRefChem:589787DTXCID20128876C,C'-(Sulfonyldi-2,1-ethanediyl) bis(C-(2,5-dioxo-1-pyrrolidinyl) carbonate)BSOCOESBis[2-(succinimidooxycarbonyloxy)ethyl] SulfoneMFCD00047123(2,5-dioxopyrrolidin-1-yl) 2-[2-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxyethylsulfonyl]ethyl carbonate
Show more names
BIS-2-(SUCCINIMIDOXYCARBONYLOXY)ETHYL SULFONEBIS[2-(SUCCINIMIDOOXYCARBONYLOXY)ETHYL]SULPHONEBIS[2-(SUCCINIMIDYLOXYCARBONYLOXY)-ETHYL]SULFONEBIS[2-(N-SUCCINIMIDYL-OXYCARBONYLOXY)ETHYL] SULFONEBIS[2-(SULFOSUCCINIMIDOOXYCARBONYLOXY)ETHYL] SULFONE
NSC 338309Disuccinimido sulphonylbis(ethylenecarbonate)Bis[2-(N-succinimidyl-oxycarbonyloxy)ethyl] sulfonNSC-338309Bis(2,5-dioxopyrrolidin-1-yl) (sulfonylbis(ethane-2,1-diyl)) bis(carbonate)C14H16N2O12SEINECS 260-904-81,1'-[Sulfonylbis(2,1-ethanediyloxycarbonyloxy)]bis-2,5-pyrrolidinedione
Properties
Computed structural properties
- XLogP
- -1.6
- Topological polar surface area
- 188 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 12
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 736
Physicochemical properties
- Melting point
- 169 · 169-173 °C
- storage temp.
- 20 °C · −20°C
- solubility
- Chloroform (Slightly, Heated), DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- color
- White to Off-White
- BRN
- 1521053 · 1521053
- Stability
- Moisture Sensitive
- FDA UNII
- 28 VHA5U7J · H28VHA5U7J
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P271-P280
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26
- WGK Germany
- 3 · 3
- F
- 10 · 10-21
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- F
- 10-21
- wgk
- 3
- hs_code
- 2933998090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P271-P280
Chemistry & industry
Applications
UsesBis[2-(succiniMidooxycarbonyloxy)ethyl] Sulfone can be used as an amine reactive homobifunctional crosslinking reagent.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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