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| CAS No.: | 18684-24-7 |
|---|---|
| Name: | H-PRO-HYP-OH |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C10H16N2O4 |
| Molecular Weight: | 228.248 |
| Synonyms: | L-Proline, 4-hydroxy-1-L-prolyl-, trans-;Proline, 4-hydroxy-1-L-prolyl- (7CI);Proline, 4-hydroxy-1-L-prolyl-, L- (8CI);Prolylhydroxyproline; |
| EINECS: | 242-609-6 |
| Density: | 1.417 g/cm3 |
| Boiling Point: | 513.456 °C at 760 mmHg |
| Flash Point: | 264.329 °C |
| PSA: | 89.87000 |
| LogP: | -0.94850 |
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- Total:31 Page 1 of 1 1
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Specification
The L-Prolyl-L-hydroxyproline, with the CAS registry number 18684-24-7, is also known as L-Proline, 4-hydroxy-1-L-prolyl-, trans-. This chemical's molecular formula is C10H16N2O4 and molecular weight is 228.24. What's more, its systematic name is (2S,4R)-4-Hydroxy-1-[(2S)-2-pyrrolidiniumylcarbonyl]-2-pyrrolidinecarboxylate.
Physical properties of L-Prolyl-L-hydroxyproline are: (1)ACD/LogP: -2.151; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.65; (4)ACD/LogD (pH 7.4): -4.67; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 6; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 97.28 Å2; (13)Index of Refraction: 1.586; (14)Molar Refractivity: 54.07 cm3; (15)Molar Volume: 161 cm3; (16)Polarizability: 21.43×10-24cm3; (17)Surface Tension: 69 dyne/cm; (18)Density: 1.417 g/cm3; (19)Flash Point: 264.329 °C; (20)Enthalpy of Vaporization: 90.344 kJ/mol; (21)Boiling Point: 513.456 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N1[C@H](C([O-])=O)C[C@@H](O)C1)[C@H]2[NH2+]CCC2
(2)Std. InChI: InChI=1S/C10H16N2O4/c13-6-4-8(10(15)16)12(5-6)9(14)7-2-1-3-11-7/h6-8,11,13H,1-5H2,(H,15,16)/t6-,7+,8+/m1/s1
(3)Std. InChIKey: ONPXCLZMBSJLSP-CSMHCCOUSA-N