D-Proline, 4-hydroxy-,methyl ester, (4R)- supplier

Name
CIS-4-HYDROXY-D-PROLINE METHYL ESTER
EINECS
CAS No. 114676-47-0
Article Data17
CAS DataBase
Density 1.216 g/cm³
Solubility
Melting Point
Formula C₆H₁₁NO₃
Boiling Point 247.2 °C at 760 mmHg
Molecular Weight 145.158
Flash Point 103.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
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;
PSA 58.56000
LogP -0.78900

D-Proline, 4-hydroxy-,methyl ester, (4R)- Specification

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

Product Name

CIS-4-HYDROXY-D-PROLINE METHYL ESTER

D-Proline, 4-hydroxy-,methyl ester, (4R)- Specification

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