C20H21NO4 1-Pyrrolidinecarboxylic acid, 4-hydroxy-2-(hydroxymethyl)-, 9H- fluoren-9-ylmethyl ester, (2S,4R)- (9CI, ACI)
| Sifat Fizikal Utama | Nilai | keadaan |
| Berat Molekul | 339.39 | - |
| Takat Didih (Diramalkan) | 549.8±40.0 °C | Akhbar: 760 Torr |
| Ketumpatan (Diramalkan) | 1.318±0.06 g/cm3 | Suhu: 20 °C;Akhbar: 760 Torr |
| pKa (Diramalkan) | 14.53±0.40 | Suhu Paling Berasid: 25 °C |
SENYUMAN Canonical O=C(OCC1C=2C=CC=CC2C=3C=CC=CC31)N4CC(O)CC4CO
SENYUMAN 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/j1-8,13-14,19,22-23H,9-12
H2/t13-,14+/m0/s1
Kunci InChI
SCXXARDQPGZAJU-UONOGXRCSA-N
3 Nama Lain untuk Bahan ini
Asid 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-Hydroxypyrrolidine-5-Methanol
| Hartanah tersedia |
| Biologi |
| bahan kimia |
| Ketumpatan |
| Lipinski |
| Berkaitan Struktur |
| terma |
Biologi
| Harta benda | Nilai | keadaan | Sumber |
| Faktor Biopekatan | 49.6 | pH 1;Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 49.6 | pH 2;Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 49.6 | pH 3;Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 49.6 | pH 4;Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 49.6 | pH 5;Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 49.6 | pH 6;Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 49.6 | pH 7;Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 49.6 | pH 8;Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 49.6 | pH 9;Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 49.6 | pH 10;Suhu: 25 °C | (1) ACD |
(1) Dikira menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
bahan kimia
| Harta benda | Nilai | keadaan | Sumber |
| Koc | 569 | pH 1;Suhu: 25 °C | (1) ACD |
| Koc | 569 | pH 2;Suhu: 25 °C | (1) ACD |
| Koc | 569 | pH 3;Suhu: 25 °C | (1) ACD |
| Koc | 569 | pH 4;Suhu: 25 °C | (1) ACD |
| Koc | 569 | pH 5;Suhu: 25 °C | (1) ACD |
| Koc | 569 | pH 6;Suhu: 25 °C | (1) ACD |
| Koc | 569 | pH 7;Suhu: 25 °C | (1) ACD |
| Koc | 569 | pH 8;Suhu: 25 °C | (1) ACD |
| Koc | 569 | pH 9;Suhu: 25 °C | (1) ACD |
| Koc | 569 | pH 10;Suhu: 25 °C | (1) ACD |
| Harta benda | Nilai | keadaan | Sumber |
| logD | 2.53 | pH 1;Suhu: 25 °C | (1) ACD |
| logD | 2.53 | pH 2;Suhu: 25 °C | (1) ACD |
| logD | 2.53 | pH 3;Suhu: 25 °C | (1) ACD |
| logD | 2.53 | pH 4;Suhu: 25 °C | (1) ACD |
| logD | 2.53 | pH 5;Suhu: 25 °C | (1) ACD |
| logD | 2.53 | pH 6;Suhu: 25 °C | (1) ACD |
| logD | 2.53 | pH 7;Suhu: 25 °C | (1) ACD |
| logD | 2.53 | pH 8;Suhu: 25 °C | (1) ACD |
| logD | 2.53 | pH 9;Suhu: 25 °C | (1) ACD |
| logD | 2.53 | pH 10;Suhu: 25 °C | (1) ACD |
| logP | 2.534±0.636 | Suhu: 25 °C | (1) ACD |
| Keterlarutan Intrinsik Jisim | 0.078 g/L | Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 0.078 g/L | pH 1;Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 0.078 g/L | pH 2;Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 0.078 g/L | pH 3;Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 0.078 g/L | pH 4;Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 0.078 g/L | pH 5;Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 0.078 g/L | pH 6;Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 0.078 g/L | pH 7;Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 0.078 g/L | pH 8;Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 0.078 g/L | pH 9;Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 0.078 g/L | pH 10;Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 0.078 g/L | Air Tidak Penampan pH 7.00;Suhu: 25 °C | (1) ACD |
| Keterlarutan Intrinsik Molar | 2.3 x 10-4 mol/L | Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 2.3 x 10-4 mol/L | pH 1;Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 2.3 x 10-4 mol/L | pH 2;Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 2.3 x 10-4 mol/L | pH 3;Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 2.3 x 10-4 mol/L | pH 4;Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 2.3 x 10-4 mol/L | pH 5;Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 2.3 x 10-4 mol/L | pH 6;Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 2.3 x 10-4 mol/L | pH 7;Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 2.3 x 10-4 mol/L | pH 8;Suhu: 25 °C | (1) ACD |
| Harta benda | Nilai | keadaan | Sumber |
| Keterlarutan Molar | 2.3 x 10-4 mol/L | pH 9;Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 2.3 x 10-4 mol/L | pH 10;Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 2.3 x 10-4 mol/L | Air Tidak Penampan pH 7.00;Suhu: 25 °C | (1) ACD |
| Berat Molekul | 339.39 | ||
| pKa | 14.53±0.40 | Suhu Paling Berasid: 25 °C | (1) ACD |
| pKa | -3.10±0.60 | Suhu Paling Asas: 25 °C | (1) ACD |
| Tekanan wap | 6.35 x 10-13 Torr | Suhu: 25 °C | (1) ACD |
(1) Dikira menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Ketumpatan
| Harta benda | Nilai | keadaan | Sumber |
| Ketumpatan | 1.318±0.06 g/cm3 | Suhu: 20 °C;Akhbar: 760 Torr | (1) ACD |
| Isipadu Molar | 257.3±3.0 cm3/mol | Suhu: 20 °C;Akhbar: 760 Torr | (1) ACD |
(1) Dikira menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Harta benda | Nilai | keadaan | Sumber |
| Bon Boleh Putar Bebas | 6 | (1) ACD | |
| H Penerima | 5 | (1) ACD | |
| H Penderma | 2 | (1) ACD | |
| H Jumlah Penderma/Penerima | 7 | (1) ACD | |
| logP | 2.534±0.636 | Suhu: 25 °C | (1) ACD |
| Berat Molekul | 339.39 |
(1) Dikira menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Berkaitan Struktur
| Harta benda | Nilai | keadaan | Sumber |
| Kawasan Permukaan Kutub | 70.0 A2 | (1) ACD | |
(1) Dikira menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
terma
| Harta benda | Nilai | keadaan | Sumber |
| Takat didih | 549.8±40.0 °C | Akhbar: 760 Torr | (1) ACD |
| Entalpi Pengewapan | 87.32±3.0 kJ/mol | Akhbar: 760 Torr | (1) ACD |
| Titik Kilat | 286.3±27.3 °C | (1) ACD |
(1) Dikira menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spectra tersedia
1H NMR
13C NMR
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