1,2-Pyrrolidinedicarboxylicacid, 4-hydroxy-, 1-(phenylmethyl) ester, (2S,4S)- supplier

Name
Z-CIS-HYP-OH
EINECS
CAS No. 13504-86-4
Article Data17
CAS DataBase
Density 1.416 g/cm³
Solubility
Melting Point
Formula C₁₃H₁₅NO₅
Boiling Point 486.876 °C at 760 mmHg
Molecular Weight 265.266
Flash Point 248.254 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,2-Pyrrolidinedicarboxylicacid, 4-hydroxy-, 1-(phenylmethyl) ester, (2S-cis)-;1,2-Pyrrolidinedicarboxylicacid, 4-hydroxy-, 1-benzyl ester, L-cis- (8CI);(2S,4S)-1-(Benzyloxycarbonyl)-2-(carboxy)-4-hydroxypyrrolidine;N-(Benzyloxycarbonyl)-cis-4-Hydroxy-D-proline;N-(Benzyloxycarbonyl)-cis-4-hydroxy-L-proline;
PSA 87.07000
LogP 0.78090

1,2-Pyrrolidinedicarboxylicacid, 4-hydroxy-, 1-(phenylmethyl) ester, (2S,4S)- Specification

The 1,2-Pyrrolidinedicarboxylicacid, 4-hydroxy-, 1-(phenylmethyl) ester, (2S,4S)- is an organic compound with the formula C₁₃H₁₅NO₅. The IUPAC name of this chemical is (2S,4S)-4-hydroxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid. With the CAS registry number 13504-86-4, it is also named as (2S,4S)-1-(benzyloxycarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid.

Physical properties about 1,2-Pyrrolidinedicarboxylicacid, 4-hydroxy-, 1-(phenylmethyl) ester, (2S,4S)- are: (1)D/LogP: -0.10; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 6; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 5; (9)Polar Surface Area: 65.07 Å²; (10)Index of Refraction: 1.612; (11)Molar Refractivity: 65.14 cm³; (12)Molar Volume: 187.3 cm³; (13)Polarizability: 25.82×10^-24cm³; (14)Surface Tension: 69.8 dyne/cm; (15)Density: 1.416 g/cm³; (16)Flash Point: 248.3 °C; (17)Enthalpy of Vaporization: 79.28 kJ/mol; (18)Boiling Point: 486.9 °C at 760 mmHg; (19)Vapour Pressure: 2.71E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCc1ccccc1)N2[C@H](C(=O)O)C[C@H](O)C2
(2)InChI: InChI=1/C13H15NO5/c15-10-6-11(12(16)17)14(7-10)13(18)19-8-9-4-2-1-3-5-9/h1-5,10-11,15H,6-8H2,(H,16,17)/t10-,11-/m0/s1
(3)InChIKey: WWVCWLBEARZMAH-QWRGUYRKBE
(4)Std. InChI: InChI=1S/C13H15NO5/c15-10-6-11(12(16)17)14(7-10)13(18)19-8-9-4-2-1-3-5-9/h1-5,10-11,15H,6-8H2,(H,16,17)/t10-,11-/m0/s1
(5)Std. InChIKey: WWVCWLBEARZMAH-QWRGUYRKSA-N

Product Name

Z-CIS-HYP-OH

1,2-Pyrrolidinedicarboxylicacid, 4-hydroxy-, 1-(phenylmethyl) ester, (2S,4S)- Specification

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