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Propanoic acid,3-[[2-[[5-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]amino]ethyl]dithio]-, 2,5-dioxo-3-sulfo-1-pyrrolidinyl ester (202057-28-1)

Identification
Name:Propanoic acid,3-[[2-[[5-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]amino]ethyl]dithio]-, 2,5-dioxo-3-sulfo-1-pyrrolidinyl ester
Synonyms:3-Pyrrolidinesulfonicacid,1-[3-[[2-[[5-(hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl)-1-oxopentyl]amino]ethyl]dithio]-1-oxopropoxy]-2,5-dioxo-, [3aS-(3aa,4b,6aa)]-[partial]-;3-Pyrrolidinesulfonic acid,1-[3-[[2-[[5-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]amino]ethyl]dithio]-1-oxopropoxy]-2,5-dioxo- (9CI)
CAS:202057-28-1
Molecular Formula: C19H28 N4 O9 S4
Molecular Weight: 584.71
InChI: InChI=1/C19H28N4O9S4/c24-14(4-2-1-3-12-17-11(10-33-12)21-19(28)22-17)20-6-8-35-34-7-5-16(26)32-23-15(25)9-13(18(23)27)36(29,30)31/h11-13,17H,1-10H2,(H,20,24)(H2,21,22,28)(H,29,30,31)/t11-,12?,13?,17-/m1/s1
Molecular Structure: (C19H28N4O9S4) 3-Pyrrolidinesulfonicacid,1-[3-[[2-[[5-(hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl)-1-oxopentyl]a...
Properties
Density:1.605 g/cm3
Refractive index:1.665
Appearance:White Powder
Specification:

The Sulfosuccinimidyl 3-[[2-(biotinamido)ethyl]dithio]propionate with its cas register number is 202057-28-1. It also can be called as Propanoic acid,3-[[2-[[5-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]amino]ethyl]dithio]-, 2,5-dioxo-3-sulfo-1-pyrrolidinyl ester and the Systematic name about this chemical is 1-[3-[2-[5-[(3aR,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethyldisulfanyl]propanoyloxy]-2,5-dioxo-pyrrolidine-3-sulfonic acid. It belongs to the following product categories, such as Nitric Oxide Reagents, Biotin Derivatives, Cross Linking Reagents and so on. This chemical can be used as a water soluble biotynylating reagent which can label SERT transiently expressed in vitro. It is water soluble, and ideal for reversible bitynylation reactions.

Physical properties about Sulfosuccinimidyl 3-[[2-(biotinamido)ethyl]dithio]propionate are: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 1; (4)ACD/KOC (pH 7.4): 1; (5)#H bond acceptors: 13; (6)#H bond donors: 4; (7)#Freely Rotating Bonds: 15; (8)Polar Surface Area: 272.56Å2; (9)Index of Refraction: 1.665; (10)Molar Refractivity: 135.372 cm3; (11)Molar Volume: 364.333 cm3; (12)Polarizability: 53.666x10-24cm3; (13)Surface Tension: 84.847 dyne/cm.

You can still convert the following datas into molecular structure:
(1)SMILES: C1[C@@H]2[C@H](C(S1)CCCCC(=O)NCCSSCCC(=O)ON3C(=O)CC(C3=O)S(=O)(=O)O)NC(=O)N2
(2)InChI: InChI=1/C19H28N4O9S4/c24-14(4-2-1-3-12-17-11(10-33-12)21-19(28)22-17)20-6-8-35-34-7-5-16(26)32-23-15(25)9-13(18(23)27)36(29,30)31/h11-13,17H,1-10H2,(H,20,24)(H2,21,22,28)(H,29,30,31)/t11-,12?,13?,17-/m1/s1
(3)InChIKey: BFGIDNJHOWVNBU-GUOZAKBUBL
(4)Std. InChI: InChI=1S/C19H28N4O9S4/c24-14(4-2-1-3-12-17-11(10-33-12)21-19(28)22-17)20-6-8-35-34-7-5-16(26)32-23-15(25)9-13(18(23)27)36(29,30)31/h11-13,17H,1-10H2,(H,20,24)(H2,21,22,28)(H,29,30,31)/t11-,12?,13?,17-/m1/s1
(5)Std. InChIKey: BFGIDNJHOWVNBU-GUOZAKBUSA-N

Usage:A water soluble biotynylating reagent which can label SERT transiently expressed in vitro. It is water soluble, and ideal for reversible bitynylation reactions
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