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CAS No.: | 114676-47-0 |
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Name: | CIS-4-HYDROXY-D-PROLINE METHYL ESTER |
Article Data: | 17 |
Molecular Structure: | |
Formula: | C6H11NO3 |
Molecular Weight: | 145.158 |
Synonyms: | (2R,4R)-4-Hydroxypyrrolidine-2-carboxylic acidmethyl ester;cis-4-Hydroxy-D-proline methyl ester;D-Proline,4-hydroxy-, methyl ester, cis-;methyl (4R)-4-hydroxy-D-prolinate;(2R,4R)-4-Hydroxy-pyrrolidine-2-carboxylic acid methyl ester;(2R,4R)-methyl 4-hydroxypyrrolidine-2-carboxylate; |
Density: | 1.216 g/cm3 |
Boiling Point: | 247.2 °C at 760 mmHg |
Flash Point: | 103.3 °C |
PSA: | 58.56000 |
LogP: | -0.78900 |
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The D-Proline, 4-hydroxy-,methyl ester, (4R)-, with the CAS registry number 114676-47-0, has the systematic name of methyl (4R)-4-hydroxy-D-prolinate. It belongs to the product category of Carboxylic ester. And the molecular formula of this chemical is C6H11NO3.
The physical properties of D-Proline, 4-hydroxy-,methyl ester, (4R)- are as followings: (1)ACD/LogP: -1.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.96; (4)ACD/LogD (pH 7.4): -2.28; (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: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 38.77 Å2; (13)Index of Refraction: 1.487; (14)Molar Refractivity: 34.33 cm3; (15)Molar Volume: 119.3 cm3; (16)Polarizability: 13.61×10-24cm3; (17)Surface Tension: 44 dyne/cm; (18)Density: 1.216 g/cm3; (19)Flash Point: 103.3 °C; (20)Enthalpy of Vaporization: 56.27 kJ/mol; (21)Boiling Point: 247.2 °C at 760 mmHg; (22)Vapour Pressure: 0.00426 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)[C@@H]1NC[C@H](O)C1
(2)InChI: InChI=1/C6H11NO3/c1-10-6(9)5-2-4(8)3-7-5/h4-5,7-8H,2-3H2,1H3/t4-,5-/m1/s1
(3)InChIKey: ZORHSASAYVIBLY-RFZPGFLSBK