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CAS No.: | 24587-32-4 |
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Name: | H-GLY-HYP-OH |
Molecular Structure: | |
Formula: | C7H12N2O4 |
Molecular Weight: | 188.183 |
Synonyms: | L-Proline, 1-glycyl-4-hydroxy-, trans-; |
Density: | 1.518 g/cm3 |
Boiling Point: | 485.6 °C at 760 mmHg |
Flash Point: | 247.5 °C |
PSA: | 103.86000 |
LogP: | -1.37030 |
The L-Proline,glycyl-4-hydroxy-, (4R)-, with the CAS registry number of 24587-32-4, is also known as L-Proline, 1-glycyl-4-hydroxy-, trans-. Its molecular formula is C7H12N2O4 and molecular weight is 188.18. What's more, its systematic name is Glycyl-4-hydroxy-L-proline.
Physical properties about the L-Proline,glycyl-4-hydroxy-, (4R)- are: (1)ACD/LogP: -2.61; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -5.11; (4)ACD/LogD (pH 7.4): -5.18; (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: 6; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 59.08 Å2; (13)Index of Refraction: 1.6; (14)Molar Refractivity: 42.45 cm3; (15)Molar Volume: 123.9 cm3; (16)Surface Tension: 85.7 dyne/cm; (17)Density: 1.518 g/cm3; (18)Flash Point: 247.5 °C; (19)Enthalpy of Vaporization: 86.55 kJ/mol; (20)Boiling Point: 485.6 °C at 760 mmHg; (21)Vapour Pressure: 1.81E-11 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(N1[C@H](C(=O)O)CC(O)C1)CN
(2) InChI: InChI=1/C7H12N2O4/c8-2-6(11)9-3-4(10)1-5(9)7(12)13/h4-5,10H,1-3,8H2,(H,12,13)/t4?,5-/m0/s1
(3) InChIKey: ZJQXGJBINIMBOY-AKGZTFGVBD