2H-Pyran-4-acetic acid,a-aminotetrahydro-, (aS)- (811842-25-8)

The L-4'-Tetrahydropyranylglycine, with the cas registry number of 811842-25-8, is also known as (S)-Amino-(tetrahydropyran-4-yl)acetic acid and (S)-2-Amino-2-(tetrahydro-2H-pyran-4-yl) acetic acid. Its molecular formula is C₇H₁₃NO₃ and formula weight is 159.18. What's more, its systematic name is called (2S)-Amino(tetrahydro-2H-pyran-4-yl)ethanoic acid.

Physical properties about this chemical are: (1)ACD/LogP: -0.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.94; (4)ACD/LogD (pH 7.4): -2.94; (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: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 38.77 Å²; (13)Index of Refraction: 1.505; (14)Molar Refractivity: 38.99 cm³; (15)Molar Volume: 131.4 cm³; (16)Surface Tension: 49.7 dyne/cm; (17)Density: 1.211 g/cm³; (18)Flash Point: 145.3 °C; (19)Enthalpy of Vaporization: 61.36 kJ/mol; (20)Boiling Point: 316.7 °C at 760 mmHg; (21)Vapour Pressure: 8.62E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@@H](N)C1CCOCC1;
(2)InChI: InChI=1/C7H13NO3/c8-6(7(9)10)5-1-3-11-4-2-5/h5-6H,1-4,8H2,(H,9,10)/t6-/m0/s1;
(3)InChIKey: XLZJPHKIECMDPG-LURJTMIEBI;
(4)Std. InChI: InChI=1S/C7H13NO3/c8-6(7(9)10)5-1-3-11-4-2-5/h5-6H,1-4,8H2,(H,9,10)/t6-/m0/s1;
(5)Std. InChIKey: XLZJPHKIECMDPG-LURJTMIESA-N.