Specification: |
The CAS register number of (R)-Isoserine is 632-11-1. It also can be called as Propanoic acid,3-amino-2-hydroxy-, (2R)- and the IUPAC name about this chemical is (2R)-3-azaniumyl-2-hydroxypropanoate. The molecular formula about this chemical is C3H7NO3 and the molecular weight is 105.09. It belongs to the following product categories, such as Amino acids, non natural; Chiral Compounds and so on. This chemical can be used as biologically active β-amino acids and a important pharmaceutical intermediate.
Physical properties about (R)-Isoserine are: (1)ACD/LogP: -0.97 ; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 4; (7)#H bond donors: 4; (8)#Freely Rotating Bonds: 4; (9)Polar Surface Area: 46.53Å2; (10)Index of Refraction: 1.519; (11)Molar Refractivity: 22.54 cm3; (12)Molar Volume: 74.2 cm3; (13)Polarizability: 8.93x10-24cm3; (14)Surface Tension: 72.2 dyne/cm; (15)Enthalpy of Vaporization: 73.5 kJ/mol; (16)Boiling Point: 386.6 °C at 760 mmHg; (17)Vapour Pressure: 1.43E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-]C(=O)[C@H](O)C[NH3+]
(2)InChI: InChI=1/C3H7NO3/c4-1-2(5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m1/s1
(3)InChIKey: BMYNFMYTOJXKLE-UWTATZPHBQ
(4)Std. InChI: InChI=1S/C3H7NO3/c4-1-2(5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m1/s1
(5)Std. InChIKey: BMYNFMYTOJXKLE-UWTATZPHSA-N
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