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Basic Information
CAS No.: 125700-35-8
Name: FMOC-[15N]VAL-OH
Molecular Structure:
Molecular Structure of 125700-35-8 (FMOC-[15N]VAL-OH)
Formula: C20H21NO4
Molecular Weight: 340.38
Synonyms: Fmoc-[15N]Val-OH;Fmoc-[15N]Valine;
Melting Point: 143-145 °C
PSA: 75.63000
LogP: 4.02520
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Specification

The IUPAC name of Fmoc-[15N]Valine is (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoic acid. With the CAS registry number 125700-35-8, it is also named as Fmoc-[15N]Val-OH. The product should be stored in sealed container in a cool and dry place. And you should ensure that workplaces have good ventilation or exhaust device at -15 °C. In addition, its molecular formula is C20H21NO4 and its molecular weight is 340.38.

The other characteristics of Fmoc-[15N]Valine can be summarized as: (1)XLogP3-AA: 4; (2)H-Bond Donor: 2; (3)H-Bond Acceptor: 4; (4)Rotatable Bond Count: 6; (5)Tautomer Count: 2; (6)Exact Mass: 340.144093; (7)MonoIsotopic Mass: 340.144093; (8)Topological Polar Surface Area: 75.6; (9)Heavy Atom Count: 25; (10)Complexity: 470; (11)Isotope Atom Count: 1; (12)Defined Atom StereoCenter Count: 1; (13)Covalently-Bonded Unit Count: 1; (14)Feature 3D Acceptor Count: 3; (15)Feature 3D Donor Count: 1; (16)Feature 3D Anion Count: 1; (17)Feature 3D Hydrophobe Count: 1; (18)Feature 3D Ring Count: 3; (19)Melting point 143-145 °C.

People can use the following data to convert to the molecule structure.
(1)Canonical SMILES: CC(C)C(C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
(2)Isomeric SMILES: CC(C)[C@@H](C(=O)O)[15NH]C(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
(3)InChI: InChI=1S/C20H21NO4/c1-12(2)18(19(22)23)21-20(24)25-11-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h3-10,12,17-18H,11H2,1-2H3,(H,21,24)(H,22,23)/t18-/m0/s1/i21+1
(4)InChIKey: UGNIYGNGCNXHTR-STBUMTBBSA-N