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Ethylene glycol-bis(succinic acid N-hydroxysuccinimide ester)

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Name

Ethylene glycol-bis(succinic acid N-hydroxysuccinimide ester)

EINECS N/A
CAS No. 70539-42-3 Density 1.52 g/cm3
PSA 179.96000 LogP -1.27660
Solubility N/A Melting Point N/A
Formula C18H20N2O12 Boiling Point 603.4 °C at 760 mmHg
Molecular Weight 456.3576 Flash Point 318.7 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 70539-42-3 (EGS) Hazard Symbols N/A
Synonyms

Butanoic acid, 4-((2,5-dioxo-1-pyrrolidinyl)oxy)-4-oxo-, 1,2-ethanediyl ester;Ethylene glycol bis(succinimidyl succinate);EGBSS;ethylene glycolylbis(succinimidyl succinate);(2,5-dioxopyrrolidin-1-yl) 2-[3-(2,5-dioxopyrrolidin-1-yl)oxycarbonylpropanoyloxy]ethyl butanedioate;

 

Ethylene glycol-bis(succinic acid N-hydroxysuccinimide ester) Specification

The CAS register number of Ethylene glycol-bis(succinic acid N-hydroxysuccinimide ester) is 70539-42-3. It also can be called as Butanoic acid, 4-((2,5-dioxo-1-pyrrolidinyl)oxy)-4-oxo-, 1,2-ethanediyl ester and the IUPAC name about this chemical is 4-O-(2,5-dioxopyrrolidin-1-yl) 1-O-[2-[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutanoyl]oxyethyl] butanedioate. The molecular formula about this chemical is C18H20N2O12 and the molecular weight is 456.36. Classification code about this chemical are Affinity labels, Cross-Linking Reagents and Indicators and Reagents.

Physical properties about Ethylene glycol-bis(succinic acid N-hydroxysuccinimide ester) are: (1)ACD/LogP: -3.48; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -3.48; (4)ACD/LogD (pH 7.4): -3.48; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 14; (10)#Freely Rotating Bonds: 15; (11)Polar Surface Area: 179.96Å2; (12)Index of Refraction: 1.56; (13)Molar Refractivity: 96.97 cm3; (14)Molar Volume: 299.5 cm3; (15)Polarizability: 38.44x10-24cm3; (16)Surface Tension: 70.3 dyne/cm; (17)Enthalpy of Vaporization: 89.75 kJ/mol; (18)Boiling Point: 603.4 °C at 760 mmHg; (19)Vapour Pressure: 1.64E-14 mmHg at 25°C.

Uses of Ethylene glycol-bis(succinic acid N-hydroxysuccinimide ester): it can be used to produce succinic acid 2-[3-(doxorubicin-3'-N-yl)-3-oxoproπonyloxy]-ethyl ester N-hydroxysuccinimidyl ester with adriamycin at temperature of 20 ℃. This reaction will need reagent diisopropylethylamine and solvent dimethylformamide with reaction time of 2 hours. The yield is about 76%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2N(OC(=O)CCC(=O)OCCOC(=O)CCC(=O)ON1C(=O)CCC1=O)C(=O)CC2
(2)InChI: InChI=1/C18H20N2O12/c21-11-1-2-12(22)19(11)31-17(27)7-5-15(25)29-9-10-30-16(26)6-8-18(28)32-20-13(23)3-4-14(20)24/h1-10H2
(3)InChIKey: QLHLYJHNOCILIT-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C18H20N2O12/c21-11-1-2-12(22)19(11)31-17(27)7-5-15(25)29-9-10-30-16(26)6-8-18(28)32-20-13(23)3-4-14(20)24/h1-10H2
(5)Std. InChIKey: QLHLYJHNOCILIT-UHFFFAOYSA-N

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