C20H21NO4 1-Pyrrolidinecarboxylic acid, 4-hydroxy-2-(hydroxymethyl)-, 9H-fluoren-9-ylmethyl ester, (2S,4R)- (9CI, ACI)
| Zofunika Zathupi | Mtengo | Mkhalidwe |
| Kulemera kwa Maselo | 339.39 | - |
| Boiling Point (Zonenedweratu) | 549.8±40.0 °C | Press: 760 Torr |
| Kachulukidwe (Zonenedweratu) | 1.318±0.06 g/cm3 | Kutentha: 20 ° C; Press: 760 Torr |
| pKa (Zonenedweratu) | 14.53±0.40 | Kutentha Kwambiri kwa Acid: 25 ° C |
Canonical AMAmwetulira O=C(OCC1C=2C=CC=CC2C=3C=CC=CC31)N4CC(O)CC4CO
Isomeric SMILES C(OC(=O)N1[C@H](CO)C[C@@H](O)C1)C2C=3C(C=4C2=CC=CC4)=CC=CC3
InChi
InChI=1S/C20H21NO4/c22-11-13-9-14(23)10-21(13)20(24)25-12-19- 17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-8,13-14,19,22-23H,9-12
H2/t13-,14+/m0/s1
InChi Key
SCXXARDQPGZAJU-UONOGXRCSA-N
3 Maina ena a chinthu ichi
1-Pyrrolidinecarboxylic acid, 4-hydroxy-2- (hydroxymethyl)-, 9H-fluoren-9-ylmethyl ester, (2S-trans)- (ZCI); 9H-Fluoren-9-ylmethyl (2S, 4R) -4-hydroxy-2- (hydroxymethyl) -1-pyrrolidinecarboxylate (ACI); (3R,5S)-N-Fmoc-3-Hydroxypyrrolidine-5-Methanol
| Katundu zilipo |
| Zachilengedwe |
| Chemical |
| Kuchulukana |
| Lipinski |
| Zogwirizana ndi Kapangidwe |
| Kutentha |
Zachilengedwe
| Katundu | Mtengo | Mkhalidwe | Gwero |
| Bioconcentration Factor | 49.6 | pH 1; Kutentha: 25 ° C | (1) ACD |
| Bioconcentration Factor | 49.6 | pH 2; Kutentha: 25 ° C | (1) ACD |
| Bioconcentration Factor | 49.6 | pH 3; Kutentha: 25 ° C | (1) ACD |
| Bioconcentration Factor | 49.6 | pH 4; Kutentha: 25 ° C | (1) ACD |
| Bioconcentration Factor | 49.6 | pH 5; Kutentha: 25 ° C | (1) ACD |
| Bioconcentration Factor | 49.6 | pH 6; Kutentha: 25 ° C | (1) ACD |
| Bioconcentration Factor | 49.6 | pH 7; Kutentha: 25 ° C | (1) ACD |
| Bioconcentration Factor | 49.6 | pH 8; Kutentha: 25 ° C | (1) ACD |
| Bioconcentration Factor | 49.6 | pH 9; Kutentha: 25 ° C | (1) ACD |
| Bioconcentration Factor | 49.6 | pH 10; Kutentha: 25 ° C | (1) ACD |
(1) Owerengedwa pogwiritsa ntchito Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Chemical
| Katundu | Mtengo | Mkhalidwe | Gwero |
| Koc | 569 | pH 1; Kutentha: 25 ° C | (1) ACD |
| Koc | 569 | pH 2; Kutentha: 25 ° C | (1) ACD |
| Koc | 569 | pH 3; Kutentha: 25 ° C | (1) ACD |
| Koc | 569 | pH 4; Kutentha: 25 ° C | (1) ACD |
| Koc | 569 | pH 5; Kutentha: 25 ° C | (1) ACD |
| Koc | 569 | pH 6; Kutentha: 25 ° C | (1) ACD |
| Koc | 569 | pH 7; Kutentha: 25 ° C | (1) ACD |
| Koc | 569 | pH 8; Kutentha: 25 ° C | (1) ACD |
| Koc | 569 | pH 9; Kutentha: 25 ° C | (1) ACD |
| Koc | 569 | pH 10; Kutentha: 25 ° C | (1) ACD |
| Katundu | Mtengo | Mkhalidwe | Gwero |
| logD | 2.53 | pH 1; Kutentha: 25 ° C | (1) ACD |
| logD | 2.53 | pH 2; Kutentha: 25 ° C | (1) ACD |
| logD | 2.53 | pH 3; Kutentha: 25 ° C | (1) ACD |
| logD | 2.53 | pH 4; Kutentha: 25 ° C | (1) ACD |
| logD | 2.53 | pH 5; Kutentha: 25 ° C | (1) ACD |
| logD | 2.53 | pH 6; Kutentha: 25 ° C | (1) ACD |
| logD | 2.53 | pH 7; Kutentha: 25 ° C | (1) ACD |
| logD | 2.53 | pH 8; Kutentha: 25 ° C | (1) ACD |
| logD | 2.53 | pH 9; Kutentha: 25 ° C | (1) ACD |
| logD | 2.53 | pH 10; Kutentha: 25 ° C | (1) ACD |
| logP | 2.534±0.636 | Kutentha: 25 ° C | (1) ACD |
| Mass Intrinsic Solubility | 0.078 g/L | Kutentha: 25 ° C | (1) ACD |
| Misa Solubility | 0.078 g/L | pH 1; Kutentha: 25 ° C | (1) ACD |
| Misa Solubility | 0.078 g/L | pH 2; Kutentha: 25 ° C | (1) ACD |
| Misa Solubility | 0.078 g/L | pH 3; Kutentha: 25 ° C | (1) ACD |
| Misa Solubility | 0.078 g/L | pH 4; Kutentha: 25 ° C | (1) ACD |
| Misa Solubility | 0.078 g/L | pH 5; Kutentha: 25 ° C | (1) ACD |
| Misa Solubility | 0.078 g/L | pH 6; Kutentha: 25 ° C | (1) ACD |
| Misa Solubility | 0.078 g/L | pH 7; Kutentha: 25 ° C | (1) ACD |
| Misa Solubility | 0.078 g/L | pH 8; Kutentha: 25 ° C | (1) ACD |
| Misa Solubility | 0.078 g/L | pH 9; Kutentha: 25 ° C | (1) ACD |
| Misa Solubility | 0.078 g/L | pH 10; Kutentha: 25 ° C | (1) ACD |
| Misa Solubility | 0.078 g/L | Madzi Osasunthika pH 7.00; Kutentha: 25 ° C | (1) ACD |
| Molar Intrinsic Solubility | 2.3 x 10-4 mol / L | Kutentha: 25 ° C | (1) ACD |
| Molar Solubility | 2.3 x 10-4 mol / L | pH 1; Kutentha: 25 ° C | (1) ACD |
| Molar Solubility | 2.3 x 10-4 mol / L | pH 2; Kutentha: 25 ° C | (1) ACD |
| Molar Solubility | 2.3 x 10-4 mol / L | pH 3; Kutentha: 25 ° C | (1) ACD |
| Molar Solubility | 2.3 x 10-4 mol / L | pH 4; Kutentha: 25 ° C | (1) ACD |
| Molar Solubility | 2.3 x 10-4 mol / L | pH 5; Kutentha: 25 ° C | (1) ACD |
| Molar Solubility | 2.3 x 10-4 mol / L | pH 6; Kutentha: 25 ° C | (1) ACD |
| Molar Solubility | 2.3 x 10-4 mol / L | pH 7; Kutentha: 25 ° C | (1) ACD |
| Molar Solubility | 2.3 x 10-4 mol / L | pH 8; Kutentha: 25 ° C | (1) ACD |
| Katundu | Mtengo | Mkhalidwe | Gwero |
| Molar Solubility | 2.3 x 10-4 mol / L | pH 9; Kutentha: 25 ° C | (1) ACD |
| Molar Solubility | 2.3 x 10-4 mol / L | pH 10; Kutentha: 25 ° C | (1) ACD |
| Molar Solubility | 2.3 x 10-4 mol / L | Madzi Osasunthika pH 7.00; Kutentha: 25 ° C | (1) ACD |
| Kulemera kwa Maselo | 339.39 | ||
| pKa | 14.53±0.40 | Kutentha Kwambiri kwa Acid: 25 ° C | (1) ACD |
| pKa | -3.10±0.60 | Kutentha Kwambiri Kwambiri: 25 °C | (1) ACD |
| Kuthamanga kwa Vapor | 6.35 x 10-13 torr | Kutentha: 25 ° C | (1) ACD |
(1) Owerengedwa pogwiritsa ntchito Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Kuchulukana
| Katundu | Mtengo | Mkhalidwe | Gwero |
| Kuchulukana | 1.318±0.06 g/cm3 | Kutentha: 20 ° C; Press: 760 Torr | (1) ACD |
| Molar Volume | 257.3±3.0cm3/mol | Kutentha: 20 ° C; Press: 760 Torr | (1) ACD |
(1) Owerengedwa pogwiritsa ntchito Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Katundu | Mtengo | Mkhalidwe | Gwero |
| Ma Bond Osinthasintha Mwaulere | 6 | (1) ACD | |
| H Olandira | 5 | (1) ACD | |
| H Opereka | 2 | (1) ACD | |
| H Chiwerengero cha Wopereka / Wolandira | 7 | (1) ACD | |
| logP | 2.534±0.636 | Kutentha: 25 ° C | (1) ACD |
| Kulemera kwa Maselo | 339.39 |
(1) Owerengedwa pogwiritsa ntchito Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Zogwirizana ndi Kapangidwe
| Katundu | Mtengo | Mkhalidwe | Gwero |
| Malo a Polar Surface | 70.0 A2 | (1) ACD | |
(1) Owerengedwa pogwiritsa ntchito Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Kutentha
| Katundu | Mtengo | Mkhalidwe | Gwero |
| Boiling Point | 549.8±40.0 °C | Press: 760 Torr | (1) ACD |
| Enthalpy ya vaporization | 87.32±3.0 kJ/mol | Press: 760 Torr | (1) ACD |
| Pophulikira | 286.3±27.3 °C | (1) ACD |
(1) Owerengedwa pogwiritsa ntchito Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra ilipo
1H NMR
13C NMR
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