Back to Search
Molecule
L-Cystine, Hydrochloride (1:?)
CAS: 34760-60-6 · C6H13ClN2O4S2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 34760-60-6
- Molecular Formula
- C6H13ClN2O4S2
- Molecular Mass
- 276.77 g/mol
Identifiers
CAS Registry Number
34760-60-6
SMILES
Cl.N[C@@H](CSSC[C@H](N)C(=O)O)C(=O)O
InChI Key
IOCJWNPYGRVHLN-MMALYQPHSA-N
InChI
InChI=1S/C6H12N2O4S2.ClH/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);1H/t3-,4-;/m0./s1
Names and Synonyms
- L-Cystine, Hydrochloride (1:?) Synonym
- L-Cystine, hydrochloride (1:?) Synonym
- L-Cystine, hydrochloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 276.77 g/mol | CAS Common Chemistry |
| 276.767 g/mol | RDKit | |
| 276.75 g/mol | chempirical lib | |
| Density | 1.52 g/cm³ | CAS Common Chemistry |
| 1.520 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | Cl.O=C(O)C(N)CSSCC(N)C(=O)O | CAS Common Chemistry |
| InChI | InChI=1S/C6H12N2O4S2.ClH/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);1H/t3-,4-;/m0./s1 | CAS Common Chemistry |
| InChI Key | InChIKey=IOCJWNPYGRVHLN-MMALYQPHSA-N | CAS Common Chemistry |
| Name | L-Cystine, hydrochloride (1:?) | CAS Common Chemistry |
| Heavy Atom Count | 15 | 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 | -0.3865999999999999 | RDKit |
| -0.3866 | RDKit | |
| Molar Refractivity | 63.3864 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6667 | RDKit |
| 0.67 | chempirical lib | |
| Exact Mass | 276.000526576 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 276.77 g/mol; density = 1.520 g/mL. Edit any field — others recompute live.
