Products Categories
| CAS No.: | 498-59-9 |
|---|---|
| Name: | DJENKOLIC ACID |
| Molecular Structure: | |
|
|
|
| Formula: | C7H14N2O4S2 |
| Molecular Weight: | 254.331 |
| Synonyms: | Djenkolic acid;3,3'-Methylenedithiobis(2-aminopropanoic acid);Alanine, 3,3'-(methylenedithio)di-;Djenkolate;L-Cysteine thioacetal of formaldehyde;L-Djenkolic acid;beta,beta'-Methylenedithiodialanine;UNII-3QHC9R0YFZ;NSC 76076;L-Cysteine, S,S'-methylenebis- (9CI); |
| EINECS: | 207-863-4 |
| Density: | 1.501 g/cm3 |
| Melting Point: | 325°C (rough estimate) |
| Boiling Point: | 515.4 °C at 760 mmHg |
| Flash Point: | 265.5 °C |
| Solubility: | 5g/L(100 oC) |
| Risk Codes: | R10 |
| PSA: | 177.24000 |
| LogP: | 0.63470 |
- 5156-58-1N-(1-Benzyl-4-pipperidinyl)-N-phenylpropanamide HCl
- 81281-59-67-Benzylideneaminotheophylline
- 50288-62-5threo-Phenyl-2-piperidyl acetamide
- 82993-81-5D-threo-Ritalinic acid hydrochloride
- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
- 68439-39-4Poly(oxy-1,2-ethanediyl), alpha-(2-ethylhexyl)-omega-hydroxy-,
- 852475-26-4MC1568
- 958254-66-51H-Imidazo[4,5-b]pyridine-2-carboxaldehyde, 1-methyl-, hydrochloride
- 99170-93-1N-Methyl-2-oxazolamine
- 717878-06-31-(4-fluorophenyl)-4-nitro-1H-imidazole
- Total:24 Page 1 of 1 1
What can I do for you?
Get Best Price
Specification
The L-Djenkolate with CAS registry number of 498-59-9 is also known as L-Djenkolic acid. The IUPAC name is (2R)-2-Amino-3-[[(2R)-2-amino-2-carboxyethyl]sulfanylmethylsulfanyl]propanoic acid. It belongs to product categories of Amino Acids. Its EINECS registry number is 207-863-4. In addition, the formula is C7H14N2O4S2 and the molecular weight is 254.33. What's more, it is toxic to humans, especially causing nephrotoxicity and it should be sealed in ventilated and dry place away from oxidants. Furthermore, this chemical can be prepared by the condensation of methylene chloride with 2 moles of L-cysteine in liquid ammonia, which shows that the synthetic compound is identical with the naturally occurring djenkolic acid.
Physical properties about L-Djenkolate are: (1)ACD/LogP: 1.43; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -1.07; (4)ACD/LogD (pH 7.4): -1.15; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 10; (12)Index of Refraction: 1.634; (13)Molar Refractivity: 60.59 cm3; (14)Molar Volume: 169.3 cm3; (15)Surface Tension: 81.1 dyne/cm; (16)Density: 1.501 g/cm3; (17)Flash Point: 265.5 °C; (18)Enthalpy of Vaporization: 86.15 kJ/mol; (19)Boiling Point: 515.4 °C at 760 mmHg; (20)Vapour Pressure: 5.2E-12 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
1. Canonical SMILES: C(C(C(=O)O)N)SCSCC(C(=O)O)N
2. Isomeric SMILES: C([C@@H](C(=O)O)N)SCSC[C@@H](C(=O)O)N
3. InChI: InChI=1S/C7H14N2O4S2/c8-4(6(10)11)1-14-3-15-2-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)/t4-,5-/m0/s1
4. InChIKey: JMQMNWIBUCGUDO-WHFBIAKZSA-N