C20H21NO4 Aċidu 1-Pyrrolidinecarboxylic, 4-hydroxy-2-(hydroxymethyl)-, 9H- fluoren-9-ylmethyl ester, (2S,4R)- (9CI, ACI)
| Proprjetajiet Fiżiċi Ewlenin | Valur | Kundizzjoni |
| Piż Molekulari | 339.39 | - |
| Punt tat-Togħlija (Imbassar) | 549.8±40.0 °C | Press: 760 Torr |
| Densità (Imbassar) | 1.318±0.06 g/cm3 | Temp: 20 °C; Press: 760 Torr |
| pKa (Imbassar) | 14.53±0.40 | L-aktar Temp Aċidiku: 25 °C |
Canonical SMILES O=C(OCC1C=2C=CC=CC2C=3C=CC=CC31)N4CC(O)CC4CO
Tbissim iżomeriċi 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 Ismijiet Oħra għal din is-Sustanza
Aċidu 1-Pyrrolidinecarboxylic, 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-Idrossipirrolidin-5-Metanol
| Proprjetajiet disponibbli |
| Bijoloġiċi |
| Kimika |
| Densità |
| Lipinski |
| Struttura Relatati |
| Termali |
Bijoloġiċi
| Proprjetà | Valur | Kundizzjoni | Sors |
| Fattur tal-Bijokonċentrazzjoni | 49.6 | pH 1; Temp: 25 °C | (1) ACD |
| Fattur tal-Bijokonċentrazzjoni | 49.6 | pH 2; Temp: 25 °C | (1) ACD |
| Fattur tal-Bijokonċentrazzjoni | 49.6 | pH 3; Temp: 25 °C | (1) ACD |
| Fattur tal-Bijokonċentrazzjoni | 49.6 | pH 4; Temp: 25 °C | (1) ACD |
| Fattur tal-Bijokonċentrazzjoni | 49.6 | pH 5; Temp: 25 °C | (1) ACD |
| Fattur tal-Bijokonċentrazzjoni | 49.6 | pH 6; Temp: 25 °C | (1) ACD |
| Fattur tal-Bijokonċentrazzjoni | 49.6 | pH 7; Temp: 25 °C | (1) ACD |
| Fattur tal-Bijokonċentrazzjoni | 49.6 | pH 8; Temp: 25 °C | (1) ACD |
| Fattur tal-Bijokonċentrazzjoni | 49.6 | pH 9; Temp: 25 °C | (1) ACD |
| Fattur tal-Bijokonċentrazzjoni | 49.6 | pH 10; Temp: 25 °C | (1) ACD |
(1) Ikkalkulat bl-użu ta' Software għall-Iżvilupp tal-Kimika Avvanzata (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Kimika
| Proprjetà | Valur | Kundizzjoni | Sors |
| Koc | 569 | pH 1; Temp: 25 °C | (1) ACD |
| Koc | 569 | pH 2; Temp: 25 °C | (1) ACD |
| Koc | 569 | pH 3; Temp: 25 °C | (1) ACD |
| Koc | 569 | pH 4; Temp: 25 °C | (1) ACD |
| Koc | 569 | pH 5; Temp: 25 °C | (1) ACD |
| Koc | 569 | pH 6; Temp: 25 °C | (1) ACD |
| Koc | 569 | pH 7; Temp: 25 °C | (1) ACD |
| Koc | 569 | pH 8; Temp: 25 °C | (1) ACD |
| Koc | 569 | pH 9; Temp: 25 °C | (1) ACD |
| Koc | 569 | pH 10; Temp: 25 °C | (1) ACD |
| Proprjetà | Valur | Kundizzjoni | Sors |
| logD | 2.53 | pH 1; Temp: 25 °C | (1) ACD |
| logD | 2.53 | pH 2; Temp: 25 °C | (1) ACD |
| logD | 2.53 | pH 3; Temp: 25 °C | (1) ACD |
| logD | 2.53 | pH 4; Temp: 25 °C | (1) ACD |
| logD | 2.53 | pH 5; Temp: 25 °C | (1) ACD |
| logD | 2.53 | pH 6; Temp: 25 °C | (1) ACD |
| logD | 2.53 | pH 7; Temp: 25 °C | (1) ACD |
| logD | 2.53 | pH 8; Temp: 25 °C | (1) ACD |
| logD | 2.53 | pH 9; Temp: 25 °C | (1) ACD |
| logD | 2.53 | pH 10; Temp: 25 °C | (1) ACD |
| logP | 2.534±0.636 | Temp: 25 °C | (1) ACD |
| Solubilità Intrinsika tal-Massa | 0.078 g/L | Temp: 25 °C | (1) ACD |
| Solubilità tal-Massa | 0.078 g/L | pH 1; Temp: 25 °C | (1) ACD |
| Solubilità tal-Massa | 0.078 g/L | pH 2; Temp: 25 °C | (1) ACD |
| Solubilità tal-Massa | 0.078 g/L | pH 3; Temp: 25 °C | (1) ACD |
| Solubilità tal-Massa | 0.078 g/L | pH 4; Temp: 25 °C | (1) ACD |
| Solubilità tal-Massa | 0.078 g/L | pH 5; Temp: 25 °C | (1) ACD |
| Solubilità tal-Massa | 0.078 g/L | pH 6; Temp: 25 °C | (1) ACD |
| Solubilità tal-Massa | 0.078 g/L | pH 7; Temp: 25 °C | (1) ACD |
| Solubilità tal-Massa | 0.078 g/L | pH 8; Temp: 25 °C | (1) ACD |
| Solubilità tal-Massa | 0.078 g/L | pH 9; Temp: 25 °C | (1) ACD |
| Solubilità tal-Massa | 0.078 g/L | pH 10; Temp: 25 °C | (1) ACD |
| Solubilità tal-Massa | 0.078 g/L | Ilma mhux buffered pH 7.00; Temp: 25 °C | (1) ACD |
| Solubilità Intrinsika Molari | 2.3 x 10-4 mol/L | Temp: 25 °C | (1) ACD |
| Solubilità Molari | 2.3 x 10-4 mol/L | pH 1; Temp: 25 °C | (1) ACD |
| Solubilità Molari | 2.3 x 10-4 mol/L | pH 2; Temp: 25 °C | (1) ACD |
| Solubilità Molari | 2.3 x 10-4 mol/L | pH 3; Temp: 25 °C | (1) ACD |
| Solubilità Molari | 2.3 x 10-4 mol/L | pH 4; Temp: 25 °C | (1) ACD |
| Solubilità Molari | 2.3 x 10-4 mol/L | pH 5; Temp: 25 °C | (1) ACD |
| Solubilità Molari | 2.3 x 10-4 mol/L | pH 6; Temp: 25 °C | (1) ACD |
| Solubilità Molari | 2.3 x 10-4 mol/L | pH 7; Temp: 25 °C | (1) ACD |
| Solubilità Molari | 2.3 x 10-4 mol/L | pH 8; Temp: 25 °C | (1) ACD |
| Proprjetà | Valur | Kundizzjoni | Sors |
| Solubilità Molari | 2.3 x 10-4 mol/L | pH 9; Temp: 25 °C | (1) ACD |
| Solubilità Molari | 2.3 x 10-4 mol/L | pH 10; Temp: 25 °C | (1) ACD |
| Solubilità Molari | 2.3 x 10-4 mol/L | Ilma mhux buffered pH 7.00; Temp: 25 °C | (1) ACD |
| Piż Molekulari | 339.39 | ||
| pKa | 14.53±0.40 | L-aktar Temp Aċidiku: 25 °C | (1) ACD |
| pKa | -3.10±0.60 | L-aktar Temperatura Bażika: 25 °C | (1) ACD |
| Pressjoni tal-Fwar | 6.35 x 10-13 Torr | Temp: 25 °C | (1) ACD |
(1) Ikkalkulat bl-użu ta' Software għall-Iżvilupp tal-Kimika Avvanzata (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Densità
| Proprjetà | Valur | Kundizzjoni | Sors |
| Densità | 1.318±0.06 g/cm3 | Temp: 20 °C; Press: 760 Torr | (1) ACD |
| Volum Molari | 257.3±3.0 cm3/mol | Temp: 20 °C; Press: 760 Torr | (1) ACD |
(1) Ikkalkulat bl-użu ta' Software għall-Iżvilupp tal-Kimika Avvanzata (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Proprjetà | Valur | Kundizzjoni | Sors |
| Bonds li Jduru liberament | 6 | (1) ACD | |
| H Aċċettaturi | 5 | (1) ACD | |
| H Donaturi | 2 | (1) ACD | |
| H Somma tad-Donatur/Aċċettatur | 7 | (1) ACD | |
| logP | 2.534±0.636 | Temp: 25 °C | (1) ACD |
| Piż Molekulari | 339.39 |
(1) Ikkalkulat bl-użu ta' Software għall-Iżvilupp tal-Kimika Avvanzata (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Struttura Relatati
| Proprjetà | Valur | Kundizzjoni | Sors |
| Żona tal-wiċċ Polari | 70.0 A2 | (1) ACD | |
(1) Ikkalkulat bl-użu ta' Software għall-Iżvilupp tal-Kimika Avvanzata (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Termali
| Proprjetà | Valur | Kundizzjoni | Sors |
| Punt tat-Togħlija | 549.8±40.0 °C | Press: 760 Torr | (1) ACD |
| Entalpija ta' Vaporizzazzjoni | 87.32±3.0 kJ/mol | Press: 760 Torr | (1) ACD |
| Flash Point | 286.3±27.3 °C | (1) ACD |
(1) Ikkalkulat bl-użu ta' Software għall-Iżvilupp tal-Kimika Avvanzata (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spettri disponibbli
1H NMR
13C NMR
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