C20H21NO4 1-asam pirolidinkarboksilat, 4-hidroksi-2-(hidroksimetil)-, 9H- fluoren-9-ilmetil ester, (2S,4R)- (9CI, ACI)
| Sifat Fisik Utama | Nilai | Kondisi |
| Berat Molekul | 339.39 | - |
| Titik Didih (Diprediksi) | 549,8±40,0 °C | Tekan: 760 Torr |
| Kepadatan (Diprediksi) | 1,318±0,06 gram/cm3 | Suhu: 20 °C; Tekan: 760 Torr |
| pKa (Diprediksi) | 14,53±0,40 | Suhu Paling Asam: 25 °C |
SENYUM Kanonik O=C(OCC1C=2C=CC=CC2C=3C=CC=CC31)N4CC(O)CC4CO
SENYUM Isomer C(OC(=O)N1[C@H](CO)C[C@@H](O)C1)C2C=3C(C=4C2=CC=CC4)=CC=CC3
Di ChI
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/jam1-8,13-14,19,22-23jam,9-12
H2/t13-,14+/m0/s1
Kunci InChI
SCXXARDQPGZAJU-UONOGXRCSA-N
3 Nama Lain Zat ini
Asam 1-pirolidinkarboksilat, 4-hidroksi-2-(hidroksimetil)-, 9H-fluoren-9-ilmetil ester, (2S-trans)- (ZCI); 9H-Fluoren-9-ylmethyl (2S, 4R)-4-hydroxy-2-(hydroxymethyl)-1-pyrrolidinecarboxylate (ACI); (3R,5S)-N-Fmoc-3-Hydroxypyrrolidine-5-Metanol
| Properti tersedia |
| Biologis |
| Kimia |
| Kepadatan |
| Lipinski |
| Terkait Struktur |
| Panas |
Biologis
| Milik | Nilai | Kondisi | Sumber |
| Faktor Biokonsentrasi | 49.6 | pH 1; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 49.6 | pH 2; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 49.6 | pH 3; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 49.6 | pH 4; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 49.6 | pH 5; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 49.6 | pH 6; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 49.6 | pH 7; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 49.6 | pH 8; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 49.6 | pH 9; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 49.6 | pH 10; Suhu: 25 °C | (1) ACD |
(1) Dihitung menggunakan Perangkat Lunak Pengembangan Kimia Tingkat Lanjut (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Kimia
| Milik | Nilai | Kondisi | 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 |
| Milik | Nilai | Kondisi | 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 |
| Kelarutan Intrinsik Massa | 0,078 gram/L | Suhu: 25 °C | (1) ACD |
| Kelarutan Massa | 0,078 gram/L | pH 1; Suhu: 25 °C | (1) ACD |
| Kelarutan Massa | 0,078 gram/L | pH 2; Suhu: 25 °C | (1) ACD |
| Kelarutan Massa | 0,078 gram/L | pH 3; Suhu: 25 °C | (1) ACD |
| Kelarutan Massa | 0,078 gram/L | pH 4; Suhu: 25 °C | (1) ACD |
| Kelarutan Massa | 0,078 gram/L | pH 5; Suhu: 25 °C | (1) ACD |
| Kelarutan Massa | 0,078 gram/L | pH 6; Suhu: 25 °C | (1) ACD |
| Kelarutan Massa | 0,078 gram/L | pH 7; Suhu: 25 °C | (1) ACD |
| Kelarutan Massa | 0,078 gram/L | pH 8; Suhu: 25 °C | (1) ACD |
| Kelarutan Massa | 0,078 gram/L | pH 9; Suhu: 25 °C | (1) ACD |
| Kelarutan Massa | 0,078 gram/L | pH 10; Suhu: 25 °C | (1) ACD |
| Kelarutan Massa | 0,078 gram/L | Air Tanpa Buffer pH 7,00; Suhu: 25 °C | (1) ACD |
| Kelarutan Intrinsik Molar | 2,3 x 10-4 mol/L | Suhu: 25 °C | (1) ACD |
| Kelarutan Molar | 2,3 x 10-4 mol/L | pH 1; Suhu: 25 °C | (1) ACD |
| Kelarutan Molar | 2,3 x 10-4 mol/L | pH 2; Suhu: 25 °C | (1) ACD |
| Kelarutan Molar | 2,3 x 10-4 mol/L | pH 3; Suhu: 25 °C | (1) ACD |
| Kelarutan Molar | 2,3 x 10-4 mol/L | pH 4; Suhu: 25 °C | (1) ACD |
| Kelarutan Molar | 2,3 x 10-4 mol/L | pH 5; Suhu: 25 °C | (1) ACD |
| Kelarutan Molar | 2,3 x 10-4 mol/L | pH 6; Suhu: 25 °C | (1) ACD |
| Kelarutan Molar | 2,3 x 10-4 mol/L | pH 7; Suhu: 25 °C | (1) ACD |
| Kelarutan Molar | 2,3 x 10-4 mol/L | pH 8; Suhu: 25 °C | (1) ACD |
| Milik | Nilai | Kondisi | Sumber |
| Kelarutan Molar | 2,3 x 10-4 mol/L | pH 9; Suhu: 25 °C | (1) ACD |
| Kelarutan Molar | 2,3 x 10-4 mol/L | pH 10; Suhu: 25 °C | (1) ACD |
| Kelarutan Molar | 2,3 x 10-4 mol/L | Air Tanpa Buffer pH 7,00; Suhu: 25 °C | (1) ACD |
| Berat Molekul | 339.39 | ||
| pKa | 14,53±0,40 | Suhu Paling Asam: 25 °C | (1) ACD |
| pKa | -3,10±0,60 | Suhu Paling Dasar: 25 °C | (1) ACD |
| Tekanan Uap | 6,35x10-13 Tor | Suhu: 25 °C | (1) ACD |
(1) Dihitung menggunakan Perangkat Lunak Pengembangan Kimia Tingkat Lanjut (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Kepadatan
| Milik | Nilai | Kondisi | Sumber |
| Kepadatan | 1,318±0,06 gram/cm3 | Suhu: 20 °C; Tekan: 760 Torr | (1) ACD |
| Volume Molar | 257,3±3,0 cm3/mol | Suhu: 20 °C; Tekan: 760 Torr | (1) ACD |
(1) Dihitung menggunakan Perangkat Lunak Pengembangan Kimia Tingkat Lanjut (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Milik | Nilai | Kondisi | Sumber |
| Obligasi yang Dapat Diputar Secara Bebas | 6 | (1) ACD | |
| H Akseptor | 5 | (1) ACD | |
| H Donor | 2 | (1) ACD | |
| H Jumlah Donor/Akseptor | 7 | (1) ACD | |
| logP | 2,534±0,636 | Suhu: 25 °C | (1) ACD |
| Berat Molekul | 339.39 |
(1) Dihitung menggunakan Perangkat Lunak Pengembangan Kimia Tingkat Lanjut (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Terkait Struktur
| Milik | Nilai | Kondisi | Sumber |
| Luas Permukaan Kutub | 70,0 A2 | (1) ACD | |
(1) Dihitung menggunakan Perangkat Lunak Pengembangan Kimia Tingkat Lanjut (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Panas
| Milik | Nilai | Kondisi | Sumber |
| Titik didih | 549,8±40,0 °C | Tekan: 760 Torr | (1) ACD |
| Entalpi Penguapan | 87,32±3,0 kJ/mol | Tekan: 760 Torr | (1) ACD |
| Titik nyala | 286,3±27,3 °C | (1) ACD |
(1) Dihitung menggunakan Perangkat Lunak Pengembangan Kimia Tingkat Lanjut (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spektrum tersedia
1 jam NMR
13C NMR
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