IUPAC Name: (2S)-2-[[4-[[(6S)-2-Amino-5-methyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl]methylamino]benzoyl]amino]pentanedioic acid
Following is the structure of 5-Methyl-(6S)-tetrahydrofolic acid (CAS NO.31690-09-2):
Empirical Formula: C20H25N7O6
Molecular Weight: 459.4558
Index of Refraction: 1.732
Molar Refractivity: 113.14 cm3
Molar Volume: 282.6 cm3
Density: 1.62 g/cm3
Polarizability: 44.85 10-24cm3
Surface Tension of 5-Methyl-(6S)-tetrahydrofolic acid (CAS NO.31690-09-2): 73.9 dyne/cm
Canonical SMILES: CN1C(CNC2=C1C(=O)N=C(N2)N)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O
Isomeric SMILES: CN1[C@H](CNC2=C1C(=O)N=C(N2)N)CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O
InChI: InChI=1S/C20H25N7O6/c1-27-12(9-23-16-15(27)18(31)26-20(21)25-16)8-22-11-4-2-10(3-5-11)17(30)24-13(19(32)33)6-7-14(28)29/h2-5,12-13,22H,6-9H2,1H3,(H,24,30)(H,28,29)(H,32,33)(H4,21,23,25,26,31)/t12-,13-/m0/s1
InChIKey: ZNOVTXRBGFNYRX-STQMWFEESA-N
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