The D-Aspartic acid,3-amino-, (3S)-rel-, with the CAS registry number 23220-52-2, is also known as Erythro-3-Aminoaspartic acid. It belongs to the product categories of Others; Peptide Synthesis; Unnatural Amino Acid Derivatives. Its EINECS registry number is 245-500-1. This chemical's molecular formula is C4H8N2O4 and molecular weight is 148.1173. Its systematic name is called (3S)-3-amino-D-aspartic acid.
Physical properties of D-Aspartic acid,3-amino-, (3S)-rel-: (1)ACD/LogP: -0.70; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -3.24; (4)ACD/LogD (pH 7.4): -3.89; (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: 5; (12)Index of Refraction: 1.582; (13)Molar Refractivity: 30.69 cm3; (14)Molar Volume: 91.9 cm3; (15)Surface Tension: 95.9 dyne/cm; (16)Density: 1.611 g/cm3; (17)Flash Point: 138.1 °C; (18)Enthalpy of Vaporization: 59.96 kJ/mol; (19)Boiling Point: 304.7 °C at 760 mmHg; (20)Vapour Pressure: 0.000197 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@H](N)[C@H](N)C(=O)O
(2)InChI: InChI=1/C4H8N2O4/c5-1(3(7)8)2(6)4(9)10/h1-2H,5-6H2,(H,7,8)(H,9,10)/t1-,2+
(3)InChIKey: PGNYNCTUBKSHHL-XIXRPRMCBX
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