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Cystine
CAS: 56-89-3 | C6H12N2O4S2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
56-89-3
Molecular Formula:
C6H12N2O4S2
Molecular Mass:
240.31 g/mol
Names and Synonyms:
Cystine
L-Cystine
Cystine, L-
Bis(β-amino-β-carboxyethyl) disulfide
Cystine acid
β,β′-Diamino-β,β′-dicarboxydiethyl disulfide
Dicysteine
3,3′-Dithiobis(2-aminopropanoic acid)
β,β′-Dithiodialanine
Cystine
L-Cysteine disulfide
Propanoic acid, 3,3′-dithiobis[2-amino-, [R-(R*,R*)]-
(-)-Cystine
L-Cystin
L-(-)-Cystine
Oxidized L-cysteine
[R-(R*,R*)]-3,3′-Dithiobis[2-aminopropanoic acid]
l-Cystine
L-Alanine, 3,3′-dithiobis-
NSC 13203
Identifiers:
SMILES:
N[C@@H](CSSC[C@H](N)C(=O)O)C(=O)O
InChI:
InChI=1S/C6H12N2O4S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)/t3-,4-/m0/s1
Key Properties
Melting Point
260.5 °C (decomp)
CAS Common Chemistry
Density
1.68 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 240.31 g/mol | CAS Common Chemistry |
| 240.306 g/mol | RDKit | |
| 240.023848864 g/mol | RDKit | |
| Density | 1.68 g/cm³ | CAS Common Chemistry |
| 1.677 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Cystine | CAS Common Chemistry |
| Canonical SMILES | O=C(O)C(N)CSSCC(N)C(=O)O | CAS Common Chemistry |
| InChI | InChI=1S/C6H12N2O4S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)/t3-,4-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=LEVWYRKDKASIDU-IMJSIDKUSA-N | CAS Common Chemistry |
| Melting Point | 260.5 °C (decomp) | CAS Common Chemistry |
| Name | (-)-Cystine | CAS Common Chemistry |
| Cystine | CAS Common Chemistry | |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 126.64 Ų | RDKit |
| LogP | -0.8083999999999993 | RDKit |
| Molar Refractivity | 56.1384 | RDKit |
