| CAS Number | 142702-31-6 |
| Catalog Number | AG00HWKC(AGN-PC-0PSSI7) |
| Chemical Name | 3-Pyrrolidinesulfonic acid,1,1'-[dithiobis[(1-oxo-3,1-propanediyl)oxy]]bis[2,5-dioxo-, disodium salt |
| IUPAC Name | disodium;1-[3-[[3-(2,5-dioxo-3-sulfonatopyrrolidin-1-yl)oxy-3-oxopropyl]disulfanyl]propanoyloxy]-2,5-dioxopyrrolidine-3-sulfonate |
| InChI | InChI=1S/C14H16N2O14S4.2Na/c17-9-5-7(33(23,24)25)13(21)15(9)29-11(19)1-3-31-32-4-2-12(20)30-16-10(18)6-8(14(16)22)34(26,27)28;;/h7-8H,1-6H2,(H,23,24,25)(H,26,27,28);;/q;2*+1/p-2 |
| InChI Key | XRWWBWZHHSXBNC-UHFFFAOYSA-L |
| MDL Number | MFCD00054980 |
| Molecular Formula | C14H14N2Na2O14S4 |
| Molecular Weight | 608.5055 |
| SMILES | O=C(ON1C(C(S(=O)([O-])=O)CC1=O)=O)CCSSCCC(ON2C(C(S(=O)([O-])=O)CC2=O)=O)=O.[Na+].[Na+] |
| Synonyms | 142702-31-6,
Disodium 1-([3-((3-[(2,5-dioxo-3-sulfonatopyrrolidin-1-yl)oxy]-3-oxopropyl)disulfanyl)propanoyl]oxy)-2,5-dioxopyrrolidine-3-sulfonate,
DTSSP (3,3'-dithiobis(sulfosuccinimidyl propionate)),
3,3'-Dithiobis[propionic acid 3-(sodiosulfo)succinimidyl] ester,
81069-02-5,
|
| Complexity | 992 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 607.912g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 36 |
| Hydrogen Bond Acceptor Count | 16 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 608.486g/mol |
| Monoisotopic Mass | 607.912g/mol |
| Rotatable Bond Count | 11 |
| Topological Polar Surface Area | 309A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number