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CAS No.: | 92921-24-9 |
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Name: | SULFO-SMCC |
Molecular Structure: | |
Formula: | C16H18N2O9S.Na |
Molecular Weight: | 436.37 |
Synonyms: | 3-Pyrrolidinesulfonicacid,1-[[[4-[(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)methyl]cyclohexyl]carbonyl]oxy]-2,5-dioxo-,sodium salt (9CI);4-[(2,5-Dihydro-2,5-dioxo-1H-pyrrol-1-yl)methyl]-Cyclohexanecarboxylic acid 2,5-dioxo-3-sulfo-1-pyrrolidinyl ester sodium salt (1:1); |
EINECS: | 618-887-3 |
Melting Point: | >270°C (dec.) |
Solubility: | Soluble in water (2.5 mg/ml) and dimethyl formamide. |
Appearance: | Solid |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38-20/21-61 |
Safety: | 26-45-53 |
PSA: | 166.64000 |
LogP: | -0.19470 |
The CAS register number of Sulphosuccinimidyl-4-(N-maleimidomethyl)cyclohexane-1-carboxylate sodium salt is 92921-24-9. It also can be called as 4-[(2,5-Dihydro-2,5-dioxo-1H-pyrrol-1-yl)methyl]-Cyclohexanecarboxylic acid 2,5-dioxo-3-sulfo-1-pyrrolidinyl ester sodium salt (1:1) and the systematic name about this chemical is [1-[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]oxy-2,5-dioxo-pyrrolidin-3-yl]sulfonyloxysodium. The molecular formula about this chemical is C16H18N2O9S.Na and the molecular weight is 437.38. It belongs to the following product categories, such as Maleimide Derivatives; Cross Linking Reagents; MTS & Sulfhydryl Active Reagents and so on.
Physical properties about Sulphosuccinimidyl-4-(N-maleimidomethyl)cyclohexane-1-carboxylate sodium salt are: (1)#H bond acceptors: 11; (2)#Freely Rotating Bonds: 8; (3)Polar Surface Area: 152.81Å2.
You can still convert the following datas into molecular structure:
(1)SMILES: C1CC(CCC1CN2C(=O)C=CC2=O)C(=O)ON3C(=O)CC(C3=O)S(=O)(=O)O[Na]
(2)InChI: InChI=1/C16H18N2O9S.Na/c19-12-5-6-13(20)17(12)8-9-1-3-10(4-2-9)16(23)27-18-14(21)7-11(15(18)22)28(24,25)26;/h5-6,9-11H,1-4,7-8H2,(H,24,25,26);/q;+1/p-1/rC16H17N2NaO9S/c19-28-29(25,26)11-7-14(22)18(15(11)23)27-16(24)10-3-1-9(2-4-10)8-17-12(20)5-6-13(17)21/h5-6,9-11H,1-4,7-8H2
(3)InChIKey: VUFNRPJNRFOTGK-YRUXKANFAR
(4)Std. InChI: InChI=1S/C16H18N2O9S.Na/c19-12-5-6-13(20)17(12)8-9-1-3-10(4-2-9)16(23)27-18-14(21)7-11(15(18)22)28(24,25)26;/h5-6,9-11H,1-4,7-8H2,(H,24,25,26);/q;+1/p-1
(5)Std. InChIKey: VUFNRPJNRFOTGK-UHFFFAOYSA-M