The L-Serine, L-histidyl-, with the CAS registry number 21438-60-8, is also known as 2-(2-Amino-3-imidazol-5-ylpropanoylamino)-3-hydroxypropanoic acid. It belongs to the product categories of Dipeptides; Dipeptides and Tripeptides; Peptides. This chemical's molecular formula is C9H14N4O4 and molecular weight is 242.23. What's more, its systematic name is histidylserine.
Physical properties of L-Serine, L-histidyl- are: (1)ACD/LogP: -2.57; (2)# of Rule of 5 Violations: 1; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 8; (8)#H bond donors: 6; (9)#Freely Rotating Bonds: 8; (10)Polar Surface Area: 76.9 Å2; (11)Index of Refraction: 1.62; (12)Molar Refractivity: 57.03 cm3; (13)Molar Volume: 162.3 cm3; (14)Polarizability: 22.61×10-24cm3; (15)Surface Tension: 84.4 dyne/cm; (16)Density: 1.492 g/cm3; (17)Flash Point: 399.9 °C; (18)Enthalpy of Vaporization: 112.93 kJ/mol; (19)Boiling Point: 737.6 °C at 760 mmHg; (20)Vapour Pressure: 7.69E-23 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(NC(=O)C(N)Cc1cncn1)CO
(2)InChI: InChI=1S/C9H14N4O4/c10-6(1-5-2-11-4-12-5)8(15)13-7(3-14)9(16)17/h2,4,6-7,14H,1,3,10H2,(H,11,12)(H,13,15)(H,16,17)
(3)InChIKey: KRBMQYPTDYSENE-UHFFFAOYSA-N
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