Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Methyl cis-1-Boc-4-hydroxy-D-prolinate |
EINECS | 675-952-9 |
CAS No. | 114676-69-6 | Density | 1.216 g/cm3 |
PSA | 76.07000 | LogP | 0.46760 |
Solubility | N/A | Melting Point |
76 °C |
Formula | C11H19NO5 | Boiling Point | 335.2 °C at 760 mmHg |
Molecular Weight | 245.276 | Flash Point | 156.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1,2-Pyrrolidinedicarboxylicacid, 4-hydroxy-, 1-(1,1-dimethylethyl) 2-methyl ester, (2R-cis)-;(2R,4R)-4-Hydroxypyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester 2-methylester; |
Article Data | 77 |
This chemical is called Methyl cis-1-Boc-4-hydroxy-D-prolinate, and its IUPAC name is 1-O-tert-butyl 2-O-methyl (2R,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate. With the molecular formula of C11H19NO5, its molecular weight is 245.27. The CAS registry number of this chemical is 114676-69-6, and its product category is Amino Acids.
Other characteristics of the Methyl cis-1-Boc-4-hydroxy-D-prolinate can be summarised as followings: (1)ACD/LogP: -0.25; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 6; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 65.07 Å2; (7)Index of Refraction: 1.5; (8)Molar Refractivity: 59.36 cm3; (9)Molar Volume: 201.5 cm3; (10)Polarizability: 23.53×10-24cm3; (11)Surface Tension: 46.9 dyne/cm; (12)Density: 1.216 g/cm3; (13)Flash Point: 156.6 °C; (14)Enthalpy of Vaporization: 67 kJ/mol; (15)Boiling Point: 335.2 °C at 760 mmHg; (16)Vapour Pressure: 8.47E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(OC(C)(C)C)N1[C@@H](C(=O)OC)C[C@@H](O)C1
2.InChI: InChI=1/C11H19NO5/c1-11(2,3)17-10(15)12-6-7(13)5-8(12)9(14)16-4/h7-8,13H,5-6H2,1-4H3/t7-,8-/m1/s1
3.InChIKey: MZMNEDXVUJLQAF-HTQZYQBOBS