![C41H39NO6 1-asam pirolidinkarboksilat, 2-[[bis(4-metoksifenil)fenilm etoksi]metil]-4-hidroksi-, 9H-fluoren-9-ilmetil ester, (2S,4R)- (9 CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C41H39NO6 1-asam pirolidinkarboksilat, 2-[[bis(4-metoksifenil)fenilm etoksi]metil]-4-hidroksi-, 9H-fluoren-9-ilmetil ester, (2S,4R)- (9 CI, ACI) Gambar Unggulan](https://cdn.globalso.com/nvchem/C41H39NO6-1-Pyrrolidinecarboxylic-acid.jpg)
C41H39NO6 1-asam pirolidinkarboksilat, 2-[[bis(4-metoksifenil)fenilm etoksi]metil]-4-hidroksi-, 9H-fluoren-9-ilmetil ester, (2S,4R)- (9 CI, ACI)
| Sifat Fisik Utama | Nilai | Kondisi |
| Berat molekul | 641,75 | - |
| Titik Didih (Diprediksi) | 768,7±60,0 °C | Tekan: 760 Torr |
| Kepadatan (Diprediksi) | 1,237±0,06 gram/cm3 | Suhu: 20 °C;Tekan: 760 Torr |
| pKa (Diprediksi) | 14,50±0,40 | Suhu Paling Asam: 25 °C |
SENYUM Kanonis O=C(OCC1C=2C=CC=CC2C=3C=CC=CC31)N4CC(O)CC4COC(C=5C=CC=CC5)(C6=CC=C(OC)C=C6)C7=CC =C(OC)C=C7
SENYUM Isomer C(OC[C@H]1N(C(OCC2C=3C(C=4C2=CC=CC4)=CC=CC3)=O)C[C@H](O)C1)(C5=CC= C(OC)C=C5)(C6=CC=C(OC)C=C6)C7=CC=CC=C7
Di ChI
InChI=1S/C41H39NO6/c1-45-33-20-16-29(17-21-33)41(28-10-4-3-5-11-28,30-18-22-34(46- 2)23-19-30)48-26-31-24-32(43)25-42(31)40( 44)47-27-39-37-14-8-6-12-35(37) 36-13-7-9-15-38(36)39/jam3-23,31-32,39,43jam,24-27H2,1-2H3/t31-,32+/m0/s1
Kunci InChI
QPXSKGJQEBDWES-AJQTZOPKSA-N
2 Nama Lain Zat ini
Asam 1-pirolidinkarboksilat, 2-[[bis(4-metoksifenil)fenilmetoksi]metil]-4-hidroksi-, 9H-fluoren-9-ilmetil ester, (2S-trans)- (ZCI);9H-Fluoren-9-ilmetil (2S,4R)-2-[[bis(4-metoksifenil)fenilmetoksi]metil]-4-hidroksi-1-pirolidinkarboksilat (ACI)
| Properti tersedia |
| Biologis |
| Bahan kimia |
| Kepadatan |
| Lipinski |
| Terkait Struktur |
| Panas |
Biologis
| Properti | Nilai | Kondisi | Sumber |
| Faktor Biokonsentrasi | 1,00x106 | pH 1;Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 1,00x106 | pH 2;Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 1,00x106 | pH 3;Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 1,00x106 | pH 4;Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 1,00x106 | pH 5;Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 1,00x106 | pH 6;Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 1,00x106 | pH 7;Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 1,00x106 | pH 8;Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 1,00x106 | pH 9;Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 1,00x106 | pH 10;Suhu: 25 °C | (1) ACD |
(1) Dihitung menggunakan Perangkat Lunak Pengembangan Kimia Tingkat Lanjut (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Bahan kimia
| Properti | Nilai | Kondisi | Sumber |
| Koc | 7,70x105 | pH 1;Suhu: 25 °C | (1) ACD |
| Koc | 7,70x105 | pH 2;Suhu: 25 °C | (1) ACD |
| Koc | 7,70x105 | pH 3;Suhu: 25 °C | (1) ACD |
| Koc | 7,70x105 | pH 4;Suhu: 25 °C | (1) ACD |
| Koc | 7,70x105 | pH 5;Suhu: 25 °C | (1) ACD |
| Koc | 7,70x105 | pH 6;Suhu: 25 °C | (1) ACD |
| Koc | 7,70x105 | pH 7;Suhu: 25 °C | (1) ACD |
| Koc | 7,70x105 | pH 8;Suhu: 25 °C | (1) ACD |
| Koc | 7,70x105 | pH 9;Suhu: 25 °C | (1) ACD |
| Koc | 7,70x105 | pH 10;Suhu: 25 °C | (1) ACD |
| Properti | Nilai | Kondisi | Sumber |
| logD | 8.29 | pH 1;Suhu: 25 °C | (1) ACD |
| logD | 8.29 | pH 2;Suhu: 25 °C | (1) ACD |
| logD | 8.29 | pH 3;Suhu: 25 °C | (1) ACD |
| logD | 8.29 | pH 4;Suhu: 25 °C | (1) ACD |
| logD | 8.29 | pH 5;Suhu: 25 °C | (1) ACD |
| logD | 8.29 | pH 6;Suhu: 25 °C | (1) ACD |
| logD | 8.29 | pH 7;Suhu: 25 °C | (1) ACD |
| logD | 8.29 | pH 8;Suhu: 25 °C | (1) ACD |
| logD | 8.29 | pH 9;Suhu: 25 °C | (1) ACD |
| logD | 8.29 | pH 10;Suhu: 25 °C | (1) ACD |
| logP | 8.289±0.729 | Suhu: 25 °C | (1) ACD |
| Kelarutan Intrinsik Massa | 4,7x10-6g/L | Suhu: 25 °C | (1) ACD |
| Kelarutan Massa | 4,7x10-6g/L | pH 1;Suhu: 25 °C | (1) ACD |
| Kelarutan Massa | 4,7x10-6g/L | pH 2;Suhu: 25 °C | (1) ACD |
| Kelarutan Massa | 4,7x10-6g/L | pH 3;Suhu: 25 °C | (1) ACD |
| Kelarutan Massa | 4,7x10-6g/L | pH 4;Suhu: 25 °C | (1) ACD |
| Kelarutan Massa | 4,7x10-6g/L | pH 5;Suhu: 25 °C | (1) ACD |
| Kelarutan Massa | 4,7x10-6g/L | pH 6;Suhu: 25 °C | (1) ACD |
| Kelarutan Massa | 4,7x10-6g/L | pH 7;Suhu: 25 °C | (1) ACD |
| Kelarutan Massa | 4,7x10-6g/L | pH 8;Suhu: 25 °C | (1) ACD |
| Kelarutan Massa | 4,7x10-6g/L | pH 9;Suhu: 25 °C | (1) ACD |
| Kelarutan Massa | 4,7x10-6g/L | pH 10;Suhu: 25 °C | (1) ACD |
| Kelarutan Massa | 4,7x10-6g/L | Air Tanpa Buffer pH 7,00;Suhu: 25 °C | (1) ACD |
| Kelarutan Intrinsik Molar | 7,3 x 10-9 mol/L | Suhu: 25 °C | (1) ACD |
| Kelarutan Molar | 7,3 x 10-9 mol/L | pH 1;Suhu: 25 °C | (1) ACD |
| Kelarutan Molar | 7,3 x 10-9 mol/L | pH 2;Suhu: 25 °C | (1) ACD |
| Kelarutan Molar | 7,3 x 10-9 mol/L | pH 3;Suhu: 25 °C | (1) ACD |
| Kelarutan Molar | 7,3 x 10-9 mol/L | pH 4;Suhu: 25 °C | (1) ACD |
| Kelarutan Molar | 7,3 x 10-9 mol/L | pH 5;Suhu: 25 °C | (1) ACD |
| Kelarutan Molar | 7,3 x 10-9 mol/L | pH 6;Suhu: 25 °C | (1) ACD |
| Kelarutan Molar | 7,3 x 10-9 mol/L | pH 7;Suhu: 25 °C | (1) ACD |
| Kelarutan Molar | 7,3 x 10-9 mol/L | pH 8;Suhu: 25 °C | (1) ACD |
| Properti | Nilai | Kondisi | Sumber |
| Kelarutan Molar | 7,3 x 10-9 mol/L | pH 9;Suhu: 25 °C | (1) ACD |
| Kelarutan Molar | 7,3 x 10-9 mol/L | pH 10;Suhu: 25 °C | (1) ACD |
| Kelarutan Molar | 7,3 x 10-9 mol/L | Air Tanpa Buffer pH 7,00;Suhu: 25 °C | (1) ACD |
| Berat molekul | 641,75 | ||
| pKa | 14,50±0,40 | Suhu Paling Asam: 25 °C | (1) ACD |
| pKa | -3,24±0,60 | Suhu Paling Dasar: 25 °C | (1) ACD |
| Tekanan uap | 7,42x10-25 Torr | Suhu: 25 °C | (1) ACD |
(1) Dihitung menggunakan Perangkat Lunak Pengembangan Kimia Tingkat Lanjut (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Kepadatan
| Properti | Nilai | Kondisi | Sumber |
| Kepadatan | 1,237±0,06 gram/cm3 | Suhu: 20 °C;Tekan: 760 Torr | (1) ACD |
| Volume Molar | 518,4±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
| Properti | Nilai | Kondisi | Sumber |
| Obligasi yang Dapat Diputar Secara Bebas | 12 | (1) ACD | |
| H Akseptor | 7 | (1) ACD | |
| H Donor | 1 | (1) ACD | |
| H Jumlah Donor/Akseptor | 8 | (1) ACD | |
| logP | 8.289±0.729 | Suhu: 25 °C | (1) ACD |
| Berat molekul | 641,75 |
(1) Dihitung menggunakan Perangkat Lunak Pengembangan Kimia Tingkat Lanjut (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Terkait Struktur
| Properti | Nilai | Kondisi | Sumber |
| Luas Permukaan Kutub | 77,5 A2 | (1) ACD | |
(1) Dihitung menggunakan Perangkat Lunak Pengembangan Kimia Tingkat Lanjut (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Panas
| Properti | Nilai | Kondisi | Sumber |
| Titik didih | 768,7±60,0 °C | Tekan: 760 Torr | (1) ACD |
| Entalpi Penguapan | 117,42±3,0 kJ/mol | Tekan: 760 Torr | (1) ACD |
| Titik nyala | 418,7±32,9 °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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