C20H21NO4 1-Pyrrolidinecarboxylic acid, 4-hydroxy-2-(hydroxymethyl)-, 9H- fluoren-9-ylmethyl ester, (2S,4R)- (9CI, ACI)
| Izici Zomzimba Eziyinhloko | Inani | Isimo |
| Isisindo samangqamuzana | 339.39 | - |
| Iphoyinti lokubilisa (elibikezelwe) | 549.8±40.0 °C | Cindezela: 760 Torr |
| Ukuminyana (Kubikezelwe) | 1.318±0.06 g/cm3 | Izinga lokushisa: 20 °C;Cindezela: 760 Torr |
| pKa (Kubikezelwe) | 14.53±0.40 | Izinga Le-Acidic Elikhulu: 25 °C |
I-Canonical AMAMOTHEKA O=C(OCC1C=2C=CC=CC2C=3C=CC=CC31)N4CC(O)CC4CO
I-Isomeric SMILES C(OC(=O)N1[C@H](CO)C[C@@H](O)C1)C2C=3C(C=4C2=CC=CC4)=CC=CC3
I-InChI
I-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
Ukhiye we-InchI
SCXXARDQPGZAJU-UONOGXRCSA-N
3 Amanye Amagama Alesi Sitho
1-Pyrrolidinecarboxylic acid, 4-hydroxy-2-(hydroxymethyl)-, 9H-fluoren-9-ylmethyl ester, (2S-trans)- (ZCI);I-9H-Fluoren-9-ylmethyl (2S, 4R) -4-hydroxy-2- (hydroxymethyl) -1-pyrrolidinecarboxylate (ACI);(3R,5S)-N-Fmoc-3-Hydroxypyrrolidine-5-Methanol
| Izakhiwo ezitholakalayo |
| I-Biological |
| Amakhemikhali |
| Ukuminyana |
| I-Lipinski |
| Okuhlobene Nesakhiwo |
| Okushisayo |
I-Biological
| Impahla | Inani | Isimo | Umthombo |
| I-Bioconcentration Factor | 49.6 | i-pH 1;Izinga lokushisa: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 49.6 | pH 2;Izinga lokushisa: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 49.6 | i-pH 3;Izinga lokushisa: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 49.6 | i-pH 4;Izinga lokushisa: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 49.6 | pH 5;Izinga lokushisa: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 49.6 | pH 6;Izinga lokushisa: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 49.6 | pH 7;Izinga lokushisa: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 49.6 | pH 8;Izinga lokushisa: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 49.6 | pH 9;Izinga lokushisa: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 49.6 | pH 10;Izinga lokushisa: 25 °C | (1) ACD |
(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Amakhemikhali
| Impahla | Inani | Isimo | Umthombo |
| Koc | 569 | i-pH 1;Izinga lokushisa: 25 °C | (1) ACD |
| Koc | 569 | pH 2;Izinga lokushisa: 25 °C | (1) ACD |
| Koc | 569 | i-pH 3;Izinga lokushisa: 25 °C | (1) ACD |
| Koc | 569 | i-pH 4;Izinga lokushisa: 25 °C | (1) ACD |
| Koc | 569 | pH 5;Izinga lokushisa: 25 °C | (1) ACD |
| Koc | 569 | pH 6;Izinga lokushisa: 25 °C | (1) ACD |
| Koc | 569 | pH 7;Izinga lokushisa: 25 °C | (1) ACD |
| Koc | 569 | pH 8;Izinga lokushisa: 25 °C | (1) ACD |
| Koc | 569 | pH 9;Izinga lokushisa: 25 °C | (1) ACD |
| Koc | 569 | pH 10;Izinga lokushisa: 25 °C | (1) ACD |
| Impahla | Inani | Isimo | Umthombo |
| logD | 2.53 | i-pH 1;Izinga lokushisa: 25 °C | (1) ACD |
| logD | 2.53 | pH 2;Izinga lokushisa: 25 °C | (1) ACD |
| logD | 2.53 | i-pH 3;Izinga lokushisa: 25 °C | (1) ACD |
| logD | 2.53 | i-pH 4;Izinga lokushisa: 25 °C | (1) ACD |
| logD | 2.53 | pH 5;Izinga lokushisa: 25 °C | (1) ACD |
| logD | 2.53 | pH 6;Izinga lokushisa: 25 °C | (1) ACD |
| logD | 2.53 | pH 7;Izinga lokushisa: 25 °C | (1) ACD |
| logD | 2.53 | pH 8;Izinga lokushisa: 25 °C | (1) ACD |
| logD | 2.53 | pH 9;Izinga lokushisa: 25 °C | (1) ACD |
| logD | 2.53 | pH 10;Izinga lokushisa: 25 °C | (1) ACD |
| logP | 2.534±0.636 | Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Intrinsic Solubility | 0.078 g/L | Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 0.078 g/L | i-pH 1;Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 0.078 g/L | pH 2;Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 0.078 g/L | i-pH 3;Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 0.078 g/L | i-pH 4;Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 0.078 g/L | pH 5;Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 0.078 g/L | pH 6;Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 0.078 g/L | pH 7;Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 0.078 g/L | pH 8;Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 0.078 g/L | pH 9;Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 0.078 g/L | pH 10;Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 0.078 g/L | Amanzi Angenabuffered pH 7.00;Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Intrinsic Solubility | 2.3 x 10-4 mol/L | Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 2.3 x 10-4 mol/L | i-pH 1;Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 2.3 x 10-4 mol/L | pH 2;Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 2.3 x 10-4 mol/L | i-pH 3;Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 2.3 x 10-4 mol/L | i-pH 4;Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 2.3 x 10-4 mol/L | pH 5;Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 2.3 x 10-4 mol/L | pH 6;Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 2.3 x 10-4 mol/L | pH 7;Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 2.3 x 10-4 mol/L | pH 8;Izinga lokushisa: 25 °C | (1) ACD |
| Impahla | Inani | Isimo | Umthombo |
| I-Molar Solubility | 2.3 x 10-4 mol/L | pH 9;Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 2.3 x 10-4 mol/L | pH 10;Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 2.3 x 10-4 mol/L | Amanzi Angenabuffered pH 7.00;Izinga lokushisa: 25 °C | (1) ACD |
| Isisindo samangqamuzana | 339.39 | ||
| pKa | 14.53±0.40 | Izinga Le-Acidic Elikhulu: 25 °C | (1) ACD |
| pKa | -3.10±0.60 | Izinga Lokushisa Eziyisisekelo: 25 °C | (1) ACD |
| I-Vapor Pressure | 6.35 x 10-13 Torr | Izinga lokushisa: 25 °C | (1) ACD |
(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Ukuminyana
| Impahla | Inani | Isimo | Umthombo |
| Ukuminyana | 1.318±0.06 g/cm3 | Izinga lokushisa: 20 °C;Cindezela: 760 Torr | (1) ACD |
| Ivolumu ye-Molar | 257.3±3.0 cm3/mol | Izinga lokushisa: 20 °C;Cindezela: 760 Torr | (1) ACD |
(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
I-Lipinski
| Impahla | Inani | Isimo | Umthombo |
| Amabhondi Ashintshashintshayo Ngokukhululekile | 6 | (1) ACD | |
| H Abamukelayo | 5 | (1) ACD | |
| H Abaxhasi | 2 | (1) ACD | |
| H Isamba Somnikeli/Umamukeli | 7 | (1) ACD | |
| logP | 2.534±0.636 | Izinga lokushisa: 25 °C | (1) ACD |
| Isisindo samangqamuzana | 339.39 |
(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Okuhlobene Nesakhiwo
| Impahla | Inani | Isimo | Umthombo |
| Indawo ye-Polar Surface | 70.0 A2 | (1) ACD | |
(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Okushisayo
| Impahla | Inani | Isimo | Umthombo |
| Iphuzu elibilayo | 549.8±40.0 °C | Cindezela: 760 Torr | (1) ACD |
| I-Enthalpy ye-Vaporization | 87.32±3.0 kJ/mol | Cindezela: 760 Torr | (1) ACD |
| I-Flash Point | 286.3±27.3 °C | (1) ACD |
(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
I-Spectra iyatholakala
1H NMR
13C NMR
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