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Cas Database |
| Name |
D-Selenocystine |
EINECS | N/A |
| CAS No. | 26932-45-6 | Density | g/cm3 |
| PSA | 126.64000 | LogP | -0.62920 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C6H12 N2 O4 Se2 | Boiling Point | 538.3°Cat760mmHg |
| Molecular Weight | 334.092 | Flash Point | 279.3°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | A poison by intraperitoneal route. When heated to decomposition it emits toxic vapors of NOx and Se. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Alanine,3,3'-diselenodi-, D- (8CI); D-Selenocystine |
Article Data | 24 |
D-Selenocystine Chemical Properties
Molecule structure of D-Selenocystine (CAS NO.26932-45-6) :
IUPAC Name: (2S)-2-amino-3-[(2S)-2-amino-3-hydroxy-3-oxopropyl]diselanylpropanoic acid
Molecular Weight: 334.09048 g/mol
Molecular Formula: C6H12N2O4Se2
Boiling Point: 538.3 °C at 760 mmHg
Flash Point: 279.3 °C
Enthalpy of Vaporization: 89.19 kJ/mol
Vapour Pressure: 5.12E-13 mmHg at 25 °C
H-Bond Donor: 4
H-Bond Acceptor: 6
Rotatable Bond Count: 7
Exact Mass: 335.91275
MonoIsotopic Mass: 335.91275
Topological Polar Surface Area: 127
Heavy Atom Count: 14
Complexity: 192
Defined Atom StereoCenter Count: 2
Canonical SMILES: C(C(C(=O)O)N)[Se][Se]CC(C(=O)O)N
Isomeric SMILES: C([C@H](C(=O)O)N)[Se][Se]C[C@H](C(=O)O)N
InChI: InChI=1S/C6H12N2O4Se2/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-/m1/s1
InChIKey of D-Selenocystine (CAS NO.26932-45-6) : JULROCUWKLNBSN-QWWZWVQMSA-N
D-Selenocystine Toxicity Data With Reference
| 1. | ipr-rat LD50:8463 µg/kg | JPETAB Journal of Pharmacology and Experimental Therapeutics. 108 (1953),437. |
D-Selenocystine Safety Profile
A poison by intraperitoneal route. When heated to decomposition it emits toxic vapors of NOx and Se.
D-Selenocystine Standards and Recommendations
ACGIH TLV: TWA 0.2 mg(Se)/m3
D-Selenocystine Specification
D-Selenocystine (CAS NO.26932-45-6) is also called D-3,3'-Diselenodialanine ; Alanine, 3,3'-diselenodi-, D- ; D-Alanine, 3,3'-diselenobis- (9CI) .
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