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Molecule
Disuccinimidyl Glutarate
CAS: 79642-50-5 · C13H14N2O8
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 79642-50-5
- Molecular Formula
- C13H14N2O8
- Molecular Mass
- 326.26 g/mol
Identifiers
CAS Registry Number
79642-50-5
SMILES
O=C(CCCC(=O)ON1C(=O)CCC1=O)ON1C(=O)CCC1=O
InChI Key
LNQHREYHFRFJAU-UHFFFAOYSA-N
InChI
InChI=1S/C13H14N2O8/c16-8-4-5-9(17)14(8)22-12(20)2-1-3-13(21)23-15-10(18)6-7-11(15)19/h1-7H2
Names and Synonyms
- Disuccinimidyl Glutarate Common Name
- Pentanedioic acid, 1,5-bis(2,5-dioxo-1-pyrrolidinyl) ester Synonym
- 2,5-Pyrrolidinedione, 1,1′-[(1,5-dioxo-1,5-pentanediyl)bis(oxy)]bis- Synonym
- Disuccinimidyl glutarate Synonym
- DSG Crosslinker Synonym
- N,N′-Disuccinimidyl glutarate Synonym
- Di(N-succinimidyl)glutarate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 326.26 g/mol | CAS Common Chemistry |
| 326.2610000000001 g/mol | RDKit | |
| 326.261 g/mol | RDKit | |
| Canonical SMILES | O=C(ON1C(=O)CCC1=O)CCCC(=O)ON2C(=O)CCC2=O | CAS Common Chemistry |
| InChI | InChI=1S/C13H14N2O8/c16-8-4-5-9(17)14(8)22-12(20)2-1-3-13(21)23-15-10(18)6-7-11(15)19/h1-7H2 | CAS Common Chemistry |
| InChI Key | InChIKey=LNQHREYHFRFJAU-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 168-172 °C | CAS Common Chemistry |
| Name | Disuccinimidyl glutarate | CAS Common Chemistry |
| Heavy Atom Count | 23 | RDKit |
| Hydrogen Bond Acceptors | 8 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 127.35999999999999 Ų | RDKit |
| 127.36 Ų | RDKit | |
| 126.9 Ų | chempirical lib | |
| LogP | -0.6289000000000007 | RDKit |
| -0.6289 | RDKit | |
| Molar Refractivity | 68.20900000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5385 | RDKit |
| 0.54 | chempirical lib | |
| Exact Mass | 326.07501540799996 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 326.26 g/mol. Edit any field — others recompute live.
