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142702-32-7 molecular structure
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disodium 1-({4-[2-({4-[(2,5-dioxo-3-sulfonatopyrrolidin-1-yl)oxy]-4-oxobutanoyl}oxy)ethoxy]-4-oxobutanoyl}oxy)-2,5-dioxopyrrolidine-3-sulfonate

ChemBase ID: 155976
Molecular Formular: C18H18N2Na2O18S2
Molecular Mass: 660.44766
Monoisotopic Mass: 659.97914231
SMILES and InChIs

SMILES:
C1C(C(=O)N(C1=O)OC(=O)CCC(=O)OCCOC(=O)CCC(=O)ON1C(=O)CC(C1=O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
Canonical SMILES:
O=C(CCC(=O)ON1C(=O)CC(C1=O)S(=O)(=O)[O-])OCCOC(=O)CCC(=O)ON1C(=O)CC(C1=O)S(=O)(=O)[O-].[Na+].[Na+]
InChI:
InChI=1S/C18H20N2O18S2.2Na/c21-11-7-9(39(29,30)31)17(27)19(11)37-15(25)3-1-13(23)35-5-6-36-14(24)2-4-16(26)38-20-12(22)8-10(18(20)28)40(32,33)34;;/h9-10H,1-8H2,(H,29,30,31)(H,32,33,34);;/q;2*+1/p-2
InChIKey:
IYBKWXQWKPSYDT-UHFFFAOYSA-L

Cite this record

CBID:155976 http://www.chembase.cn/molecule-155976.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
disodium 1-({4-[2-({4-[(2,5-dioxo-3-sulfonatopyrrolidin-1-yl)oxy]-4-oxobutanoyl}oxy)ethoxy]-4-oxobutanoyl}oxy)-2,5-dioxopyrrolidine-3-sulfonate
IUPAC Traditional name
disodium 1-({4-[2-({4-[(2,5-dioxo-3-sulfonatopyrrolidin-1-yl)oxy]-4-oxobutanoyl}oxy)ethoxy]-4-oxobutanoyl}oxy)-2,5-dioxopyrrolidine-3-sulfonate
Synonyms
Bis(sulfo-N-succinimidyl) ethylene glycol disuccinate sodium salt
Ethylene glycol bis(sulfosuccinimidyl succinate) sodium salt
Sulfo-EGS
Ethylene glycol disuccinate bis(sulfo-N-succinimidyl) ester sodium salt
CAS Number
142702-32-7
MDL Number
MFCD00054988
PubChem SID
162250114
PubChem CID
57336671

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
39104 external link Add to cart Please log in.
Data Source Data ID
PubChem 57336671 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa -1.8451115  H Acceptors 14 
H Donor LogD (pH = 5.5) -8.091091 
LogD (pH = 7.4) -8.091512  Log P -3.3383067 
Molar Refractivity 113.467 cm3 Polarizability 48.32604 Å3
Polar Surface Area 294.36 Å2 Rotatable Bonds 17 
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
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 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
Storage Temperature
-20°C expand Show data source
Purity
≥95.0% (dry substance, CHN) expand Show data source
Grade
puriss. expand Show data source
Suitability
suitable for protein modification expand Show data source
Impurities
≤10% water expand Show data source
Empirical Formula (Hill Notation)
C18H18N2Na2O18S2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 39104 external link
Other Notes
Water-soluble reagent for cross-linking1

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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