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2578-57-6

Basic Information
CAS No.: 2578-57-6
Name: H-PRO-GLY-OH
Article Data: 18
Molecular Structure:
Molecular Structure of 2578-57-6 (H-PRO-GLY-OH)
Formula: C7H12N2O3
Molecular Weight: 172.184
Synonyms: Glycine,N-L-prolyl- (7CI,8CI);45: PN: WO03052099 PAGE: 84 claimed protein;L-Prolylglycine;NSC 89175;
Density: 1.266 g/cm3
Melting Point: 236℃
Boiling Point: 468.5 °C at 760 mmHg
Flash Point: 237.1 °C
Solubility: Soluble in AcOH 80% (50 mg/ ml-clear, colorless solution)
Appearance: White to off white powder
PSA: 78.43000
LogP: -0.34110
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Specification

The Glycine, L-prolyl- is an organic compound with the formula C7H12N2O3. The IUPAC name of this chemical is 2-(Pyrrolidine-2-carbonylamino)acetic acid. With the CAS registry number 2578-57-6, it is also named as L-Prolylglycine. The product's categories are Pyrrole; Dipeptides; Dipeptides and Tripeptides; Peptides. Besides, it should be stored at −20 °C.

Physical properties about Glycine, L-prolyl- are: (1)ACD/LogP: -1.52; (2)ACD/LogD (pH 5.5): -4.03; (3)ACD/LogD (pH 7.4): -4.03; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 49.85 Å2; (12)Index of Refraction: 1.511; (13)Molar Refractivity: 40.79 cm3; (14)Molar Volume: 135.9 cm3; (15)Polarizability: 16.17×10-24 cm3; (16)Surface Tension: 50.6 dyne/cm; (17)Density: 1.266 g/cm3; (18)Flash Point: 237.1 °C; (19)Enthalpy of Vaporization: 80.05 kJ/mol; (20)Boiling Point: 468.5 °C at 760 mmHg; (21)Vapour Pressure: 4.5E-10 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(NCC(=O)O)[C@H]1NCCC1
(2)InChI: InChI=1/C7H12N2O3/c10-6(11)4-9-7(12)5-2-1-3-8-5/h5,8H,1-4H2,(H,9,12)(H,10,11)/t5-/m0/s1
(3)InChIKey: RNKSNIBMTUYWSH-YFKPBYRVBZ
(4)Std. InChI: InChI=1S/C7H12N2O3/c10-6(11)4-9-7(12)5-2-1-3-8-5/h5,8H,1-4H2,(H,9,12)(H,10,11)/t5-/m0/s1
(5)Std. InChIKey: RNKSNIBMTUYWSH-YFKPBYRVSA-N