C20H21NO4 1-Pyrrolidinecarboxylic acid, 4-hydroxy-2-(hydroxymethyl)-, 9H- fluoren-9-ylmethyl ester, (2S,4R)- (9CI, ACI)
| Nga Ahuatanga Tinana Matua | Uara | Tikanga |
| Taumaha Molecular | 339.39 | - |
| Ira Kohua (I Matapaetia) | 549.8±40.0 °C | Perehi: 760 Torr |
| Kiato (I Matapaetia) | 1.318±0.06 g/cm3 | Te Mahana: 20 °C;Perehi: 760 Torr |
| pKa (I Matapaetia) | 14.53±0.40 | Te Mahana Waiwawa Nui: 25 °C |
Nga Ataata Canonical O=C(OCC1C=2C=CC=CC2C=3C=CC=CC31)N4CC(O)CC4CO
NGĀ MAHI Isomerik 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
Kī InChI
SCXXARDQPGZAJU-UONOGXRCSA-N
3 Ētahi atu Ingoa mō tēnei Matū
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-Mewaro
| Nga rawa e waatea ana |
| Koiora |
| Te matū |
| Kiato |
| Lipinski |
| Hanganga e Pa ana |
| Ngawha |
Koiora
| Taonga | Uara | Tikanga | Puna |
| Tauwehe Bioconcentration | 49.6 | pH 1;Te Mahana: 25 °C | (1) ACD |
| Tauwehe Bioconcentration | 49.6 | pH 2;Te Mahana: 25 °C | (1) ACD |
| Tauwehe Bioconcentration | 49.6 | pH 3;Te Mahana: 25 °C | (1) ACD |
| Tauwehe Bioconcentration | 49.6 | pH 4;Te Mahana: 25 °C | (1) ACD |
| Tauwehe Bioconcentration | 49.6 | pH 5;Te Mahana: 25 °C | (1) ACD |
| Tauwehe Bioconcentration | 49.6 | pH 6;Te Mahana: 25 °C | (1) ACD |
| Tauwehe Bioconcentration | 49.6 | pH 7;Te Mahana: 25 °C | (1) ACD |
| Tauwehe Bioconcentration | 49.6 | pH 8;Te Mahana: 25 °C | (1) ACD |
| Tauwehe Bioconcentration | 49.6 | pH 9;Te Mahana: 25 °C | (1) ACD |
| Tauwehe Bioconcentration | 49.6 | pH 10;Te Mahana: 25 °C | (1) ACD |
(1) I tatauhia ma te whakamahi i te Whanaketanga Matū Ake (ACD/Labs) Pūmanawa V11.02 (© 1994-2023 ACD/Labs)
Te matū
| Taonga | Uara | Tikanga | Puna |
| Koc | 569 | pH 1;Te Mahana: 25 °C | (1) ACD |
| Koc | 569 | pH 2;Te Mahana: 25 °C | (1) ACD |
| Koc | 569 | pH 3;Te Mahana: 25 °C | (1) ACD |
| Koc | 569 | pH 4;Te Mahana: 25 °C | (1) ACD |
| Koc | 569 | pH 5;Te Mahana: 25 °C | (1) ACD |
| Koc | 569 | pH 6;Te Mahana: 25 °C | (1) ACD |
| Koc | 569 | pH 7;Te Mahana: 25 °C | (1) ACD |
| Koc | 569 | pH 8;Te Mahana: 25 °C | (1) ACD |
| Koc | 569 | pH 9;Te Mahana: 25 °C | (1) ACD |
| Koc | 569 | pH 10;Te Mahana: 25 °C | (1) ACD |
| Taonga | Uara | Tikanga | Puna |
| rangitakiD | 2.53 | pH 1;Te Mahana: 25 °C | (1) ACD |
| rangitakiD | 2.53 | pH 2;Te Mahana: 25 °C | (1) ACD |
| rangitakiD | 2.53 | pH 3;Te Mahana: 25 °C | (1) ACD |
| rangitakiD | 2.53 | pH 4;Te Mahana: 25 °C | (1) ACD |
| rangitakiD | 2.53 | pH 5;Te Mahana: 25 °C | (1) ACD |
| rangitakiD | 2.53 | pH 6;Te Mahana: 25 °C | (1) ACD |
| rangitakiD | 2.53 | pH 7;Te Mahana: 25 °C | (1) ACD |
| rangitakiD | 2.53 | pH 8;Te Mahana: 25 °C | (1) ACD |
| rangitakiD | 2.53 | pH 9;Te Mahana: 25 °C | (1) ACD |
| rangitakiD | 2.53 | pH 10;Te Mahana: 25 °C | (1) ACD |
| rangitakiP | 2.534±0.636 | Te Mahana: 25 °C | (1) ACD |
| Te Wairewa o roto | 0.078 g/L | Te Mahana: 25 °C | (1) ACD |
| Wairewa Papatipu | 0.078 g/L | pH 1;Te Mahana: 25 °C | (1) ACD |
| Wairewa Papatipu | 0.078 g/L | pH 2;Te Mahana: 25 °C | (1) ACD |
| Wairewa Papatipu | 0.078 g/L | pH 3;Te Mahana: 25 °C | (1) ACD |
| Wairewa Papatipu | 0.078 g/L | pH 4;Te Mahana: 25 °C | (1) ACD |
| Wairewa Papatipu | 0.078 g/L | pH 5;Te Mahana: 25 °C | (1) ACD |
| Wairewa Papatipu | 0.078 g/L | pH 6;Te Mahana: 25 °C | (1) ACD |
| Wairewa Papatipu | 0.078 g/L | pH 7;Te Mahana: 25 °C | (1) ACD |
| Wairewa Papatipu | 0.078 g/L | pH 8;Te Mahana: 25 °C | (1) ACD |
| Wairewa Papatipu | 0.078 g/L | pH 9;Te Mahana: 25 °C | (1) ACD |
| Wairewa Papatipu | 0.078 g/L | pH 10;Te Mahana: 25 °C | (1) ACD |
| Wairewa Papatipu | 0.078 g/L | Te Wai Whakakore pH 7.00;Te Mahana: 25 °C | (1) ACD |
| Molar Intrinsic Solubility | 2.3 x 10-4 mol/L | Te Mahana: 25 °C | (1) ACD |
| Molar Solubility | 2.3 x 10-4 mol/L | pH 1;Te Mahana: 25 °C | (1) ACD |
| Molar Solubility | 2.3 x 10-4 mol/L | pH 2;Te Mahana: 25 °C | (1) ACD |
| Molar Solubility | 2.3 x 10-4 mol/L | pH 3;Te Mahana: 25 °C | (1) ACD |
| Molar Solubility | 2.3 x 10-4 mol/L | pH 4;Te Mahana: 25 °C | (1) ACD |
| Molar Solubility | 2.3 x 10-4 mol/L | pH 5;Te Mahana: 25 °C | (1) ACD |
| Molar Solubility | 2.3 x 10-4 mol/L | pH 6;Te Mahana: 25 °C | (1) ACD |
| Molar Solubility | 2.3 x 10-4 mol/L | pH 7;Te Mahana: 25 °C | (1) ACD |
| Molar Solubility | 2.3 x 10-4 mol/L | pH 8;Te Mahana: 25 °C | (1) ACD |
| Taonga | Uara | Tikanga | Puna |
| Molar Solubility | 2.3 x 10-4 mol/L | pH 9;Te Mahana: 25 °C | (1) ACD |
| Molar Solubility | 2.3 x 10-4 mol/L | pH 10;Te Mahana: 25 °C | (1) ACD |
| Molar Solubility | 2.3 x 10-4 mol/L | Te Wai Whakakore pH 7.00;Te Mahana: 25 °C | (1) ACD |
| Taumaha Molecular | 339.39 | ||
| pKa | 14.53±0.40 | Te Mahana Waiwawa Nui: 25 °C | (1) ACD |
| pKa | -3.10±0.60 | Te Mahana Matua: 25 °C | (1) ACD |
| Pehenga Kohu | 6.35 x 10-13 Torr | Te Mahana: 25 °C | (1) ACD |
(1) I tatauhia ma te whakamahi i te Whanaketanga Matū Ake (ACD/Labs) Pūmanawa V11.02 (© 1994-2023 ACD/Labs)
Kiato
| Taonga | Uara | Tikanga | Puna |
| Kiato | 1.318±0.06 g/cm3 | Te Mahana: 20 °C;Perehi: 760 Torr | (1) ACD |
| Rōrahi Moara | 257.3±3.0 cm3/mol | Te Mahana: 20 °C;Perehi: 760 Torr | (1) ACD |
(1) I tatauhia ma te whakamahi i te Whanaketanga Matū Ake (ACD/Labs) Pūmanawa V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Taonga | Uara | Tikanga | Puna |
| Nga here e taea te huri noa | 6 | (1) ACD | |
| H Nga Kaiwhiwhi | 5 | (1) ACD | |
| H Nga Kaituku | 2 | (1) ACD | |
| H Tapeke Kaituku/Kaiwhiwhi | 7 | (1) ACD | |
| rangitakiP | 2.534±0.636 | Te Mahana: 25 °C | (1) ACD |
| Taumaha Molecular | 339.39 |
(1) I tatauhia ma te whakamahi i te Whanaketanga Matū Ake (ACD/Labs) Pūmanawa V11.02 (© 1994-2023 ACD/Labs)
Hanganga e Pa ana
| Taonga | Uara | Tikanga | Puna |
| Rohe Mata Polar | 70.0 A2 | (1) ACD | |
(1) I tatauhia ma te whakamahi i te Whanaketanga Matū Ake (ACD/Labs) Pūmanawa V11.02 (© 1994-2023 ACD/Labs)
Ngawha
| Taonga | Uara | Tikanga | Puna |
| Kohuatanga | 549.8±40.0 °C | Perehi: 760 Torr | (1) ACD |
| Enthalpy of Vaporization | 87.32±3.0 kJ/mol | Perehi: 760 Torr | (1) ACD |
| Tohu Kohiko | 286.3±27.3 °C | (1) ACD |
(1) I tatauhia ma te whakamahi i te Whanaketanga Matū Ake (ACD/Labs) Pūmanawa V11.02 (© 1994-2023 ACD/Labs)
Kei te waatea te Spectra
1H NMR
13C NMR
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