Basic information
- Name:
L-Lysine, compd. with 5-oxo-L-proline (1:1)
- CAS No.:
30657-38-6
- Molecular Structure:
- Formula:
- C6H14N2O2.C5H7NO3
- Molecular Weight:
- 275.3015
- Synonyms:
- Lysine PCA;L-Lysine, compound with 5-oxo-L-proline (1:1);5-oxo-L-proline - L-lysine (1:1);L-Lysine, compound with 5-oxo-L-proline (1:1);
- Boiling Point:
- 624.4 °C at 760 mmHg
- Flash Point:
- 331.4 °C
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Specification
The L-Lysine, compd. with 5-oxo-L-proline (1:1), with the CAS registry number 30657-38-6 and EINECS registry number 250-275-8, has the systematic name of 5-oxo-L-proline - L-lysine (1:1). And the molecular formula of the chemical is C6H14N2O2.C5H7NO3.
The characteristics of L-Lysine, compd. with 5-oxo-L-proline (1:1)are as followings: (1)# of Rule of 5 Violations: 1; (2)#H bond acceptors: 8; (3)#H bond donors: 7; (4)#Freely Rotating Bonds: 8; (5)Polar Surface Area: 155.74 Å2; (6)Flash Point: 331.4 °C; (7)Enthalpy of Vaporization: 100.91 kJ/mol; (8)Boiling Point: 624.4 °C at 760 mmHg; (9)Vapour Pressure: 3.4E-17 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: OC(=O)[C@@H]1CCC(=O)N1.NCCCC[C@H](N)C(O)=O
(2)InChI: InChI=1/C6H14N2O2.C5H7NO3/c7-4-2-1-3-5(8)6(9)10;7-4-2-1-3(6-4)5(8)9/h5H,1-4,7-8H2,(H,9,10);3H,1-2H2,(H,6,7)(H,8,9)/t5-;3-/m00/s1
(3)InChIKey: GSTSUZHIVMCRLR-RVZXSAGBBK