L-Proline, 4-hydroxy-,methyl ester, (4S)- supplier

Name
L-Proline, 4-hydroxy-, methyl ester, (4S)- (9CI)
EINECS
CAS No. 81102-38-7
Article Data7
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 D-Proline,4-hydroxy-,methyl ester,(4S);
PSA 58.56000
LogP -0.78900

L-Proline, 4-hydroxy-,methyl ester, (4S)- Specification

The L-Proline, 4-hydroxy-,methyl ester, (4S)-, with the CAS registry number of 81102-38-7, is also known as D-Proline,4-hydroxy-,methyl ester,(4S). Its molecular formula is C₆H₁₁NO₃ and molecular weight is 145.15644. What's more, its systematic name is Methyl (4S)-4-hydroxy-D-prolinate.

Physical properties about the L-Proline, 4-hydroxy-,methyl ester, (4S)- are: (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)Surface Tension: 44 dyne/cm; (17)Density: 1.216 g/cm³; (18)Flash Point: 103.3 °C; (19)Enthalpy of Vaporization: 56.27 kJ/mol; (20)Boiling Point: 247.2 °C at 760 mmHg; (21)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+/m0/s1
(3) InChIKey: ZORHSASAYVIBLY-CRCLSJGQBJ

Product Name

L-Proline, 4-hydroxy-, methyl ester, (4S)- (9CI)

L-Proline, 4-hydroxy-,methyl ester, (4S)- Specification

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