![C38H49NO7 1- Asam pirolidindodekanoat, 2- [[bis(4-metoksifenil)fenilmetoksi]metil]-4-hidroksi-λ-okso-, (2S,4R)- (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C38H49NO7 1- Asam pirolidindodekanoat, 2- [[bis(4-metoksifenil)fenilmetoksi]metil]-4-hidroksi-λ-okso-, (2S,4R)- (ACI) Gambar Unggulan](https://cdn.globalso.com/nvchem/C38H49NO7-1-Pyrrolidinedodecanoic-acid.jpg)
C38H49NO7 1- Asam pirolidindodekanoat, 2- [[bis(4-metoksifenil)fenilmetoksi]metil]-4-hidroksi-λ-okso-, (2S,4R)- (ACI)
| Sifat Fisik Utama | Nilai | Kondisi |
| Berat Molekul | 631.80 | - |
| Titik Didih (Diprediksi) | 779,4±60,0 °C | Tekan: 760 Torr |
| Kepadatan (Diprediksi) | 1,154±0,06 gram/cm3 | Suhu: 20 °C; Tekanan: 760 Torr |
| pKa (Diprediksi) | 4,78±0,10 | Suhu Paling Asam: 25 °C |
SENYUM Kanonik O=C(O)CCCCCCCCCCC(=O)N1CC(O)CC1COC(C=2C=CC=CC2)(C3=CC=C(OC)C=C3)C4=CC=C(OC)C=C4
SENYUM Isomerik C(OC[C@H]1N(C(CCCCCCCCCCC(O)=O)=O)C[C@H](O)C1)(C2=CC=C(OC)C=C2)(C3=CC=C(OC)C=C3)C4=CC=CC=C4
Di Cina
InciChi=1S/C38H49NO7/c1-44-34-22-18-30(19-23-34)38(29-14-10-9-1 1-15-29,31-20-24-35(45-2)25-21-31)46-28-32-26-33(40)27-39(32) 36(41)16-12-7-5-3-4-6-8-13-17-37(42)43/jam9-11,14-15,18-25,32- 33,40Jam,3-8,12-13,16-17,26-28H2,1-2H3,(H,42,43)/t32-,33+/m0/s1
Kunci InChI
CEYLTMDXADTBEL-JHOUSYSJSA-N
1 Nama Lain untuk Zat Ini
Asam (2S,4R)-2-[[Bis(4-metoksifenil)fenilmetoksi]metil]-4-hidroksi-λ-okso-1-pirolidindodekanoat (ACI)
| Properti tersedia |
| Biologis |
| Kimia |
| Kepadatan |
| Lipinski |
| Struktur Terkait |
| Panas |
Biologis
| Milik | Nilai | Kondisi | Sumber |
| Faktor Biokonsentrasi | 2,46 x 105 cm | pH 1; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 2,46 x 105 cm | pH 2; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 2,42x105 cm | pH 3; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | Ukuran 2,11 x 105 | pH 4; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 92400 | pH 5; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 14000 | pH 6; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | tahun 1510 | pH 7; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 192 | pH 8; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 58.6 | pH 9; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 45.3 | pH 10; Suhu: 25 °C | (1) ACD |
(1) Dihitung menggunakan Perangkat Lunak Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Kimia
| Milik | Nilai | Kondisi | Sumber |
| Koc | Ukuran 2,52x105 | pH 1; Suhu: 25 °C | (1) ACD |
| Koc | Ukuran 2,51x105 | pH 2; Suhu: 25 °C | (1) ACD |
| Koc | 2,47 x 105 cm | pH 3; Suhu: 25 °C | (1) ACD |
| Koc | Ukuran 2,16 x 105 | pH 4; Suhu: 25 °C | (1) ACD |
| Koc | 94500 | pH 5; Suhu: 25 °C | (1) ACD |
| Koc | 14300 | pH 6; Suhu: 25 °C | (1) ACD |
| Koc | tahun 1550 | pH 7; Suhu: 25 °C | (1) ACD |
| Koc | 196 | pH 8; Suhu: 25 °C | (1) ACD |
| Koc | 59.9 | pH 9; Suhu: 25 °C | (1) ACD |
| Koc | 46.3 | pH 10; Suhu: 25 °C | (1) ACD |
| catatan D | jam 7.40 | pH 1; Suhu: 25 °C | (1) ACD |
| Milik | Nilai | Kondisi | Sumber |
| catatan D | jam 7.40 | pH 2; Suhu: 25 °C | (1) ACD |
| catatan D | 7.39 | pH 3; Suhu: 25 °C | (1) ACD |
| catatan D | 7.33 | pH 4; Suhu: 25 °C | (1) ACD |
| catatan D | 6.97 | pH 5; Suhu: 25 °C | (1) ACD |
| catatan D | 6.15 | pH 6; Suhu: 25 °C | (1) ACD |
| catatan D | 5.19 | pH 7; Suhu: 25 °C | (1) ACD |
| catatan D | 4.29 | pH 8; Suhu: 25 °C | (1) ACD |
| catatan D | 3.77 | pH 9; Suhu: 25 °C | (1) ACD |
| catatan D | 3.66 | pH 10; Suhu: 25 °C | (1) ACD |
| catatan P | 7.397±0.598 | Suhu: 25 °C | (1) ACD |
| Kelarutan Intrinsik Massa | 1,3 x 10-4 gram/liter | Suhu: 25 °C | (1) ACD |
| Kelarutan Massa | 1,3 x 10-4 gram/liter | pH 1; Suhu: 25 °C | (1) ACD |
| Kelarutan Massa | 1,3 x 10-4 gram/liter | pH 2; Suhu: 25 °C | (1) ACD |
| Kelarutan Massa | 1,3 x 10-4 gram/liter | pH 3; Suhu: 25 °C | (1) ACD |
| Kelarutan Massa | 1,5 x 10-4 gram/liter | pH 4; Suhu: 25 °C | (1) ACD |
| Kelarutan Massa | 3,5 x 10-4 gram/liter | pH 5; Suhu: 25 °C | (1) ACD |
| Kelarutan Massa | 2,3 x 10-3 gram/liter | pH 6; Suhu: 25 °C | (1) ACD |
| Kelarutan Massa | 0,021 gram/liter | pH 7; Suhu: 25 °C | (1) ACD |
| Kelarutan Massa | 0,17 gram/liter | pH 8; Suhu: 25 °C | (1) ACD |
| Kelarutan Massa | 0,55 gram/liter | pH 9; Suhu: 25 °C | (1) ACD |
| Kelarutan Massa | 0,69 gram/liter | pH 10; Suhu: 25 °C | (1) ACD |
| Kelarutan Massa | 1,3 x 10-3 gram/liter | Air Tanpa Penyangga pH 5,73; Suhu: 25 °C | (1) ACD |
| Kelarutan Intrinsik Molar | 2,1 x 10-7 mol/liter | Suhu: 25 °C | (1) ACD |
| Kelarutan Molar | 2,1 x 10-7 mol/liter | pH 1; Suhu: 25 °C | (1) ACD |
| Kelarutan Molar | 2,1 x 10-7 mol/liter | pH 2; Suhu: 25 °C | (1) ACD |
| Kelarutan Molar | 2,1 x 10-7 mol/liter | pH 3; Suhu: 25 °C | (1) ACD |
| Kelarutan Molar | 2,4 x 10-7 mol/liter | pH 4; Suhu: 25 °C | (1) ACD |
| Kelarutan Molar | 5,5 x 10-7 mol/liter | pH 5; Suhu: 25 °C | (1) ACD |
| Kelarutan Molar | 3,6 x 10-6 mol/liter | pH 6; Suhu: 25 °C | (1) ACD |
| Kelarutan Molar | 3,4 x 10-5 mol/liter | pH 7; Suhu: 25 °C | (1) ACD |
| Kelarutan Molar | 2,7 x 10-4 mol/liter | pH 8; Suhu: 25 °C | (1) ACD |
| Kelarutan Molar | 8,7 x 10-4 mol/liter | pH 9; Suhu: 25 °C | (1) ACD |
| Milik | Nilai | Kondisi | Sumber |
| Kelarutan Molar | 1,1 x 10-3 mol/liter | pH 10; Suhu: 25 °C | (1) ACD |
| Kelarutan Molar | 2,1 x 10-6 mol/liter | Air Tanpa Penyangga pH 5,73; Suhu: 25 °C | (1) ACD |
| Berat Molekul | 631.80 | ||
| pKa | 4,78±0,10 | Suhu Paling Asam: 25 °C | (1) ACD |
| pKa | -2,31±0,60 | Suhu Paling Dasar: 25 °C | (1) ACD |
| Tekanan Uap | 1,42 x 10-25 Torr (berat) | Suhu: 25 °C | (1) ACD |
(1) Dihitung menggunakan Perangkat Lunak Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Kepadatan
| Milik | Nilai | Kondisi | Sumber |
| Kepadatan | 1,154±0,06 gram/cm3 | Suhu: 20 °C; Tekanan: 760 Torr | (1) ACD |
| Volume Molar | 547,3±3,0 cm3/mol | Suhu: 20 °C; Tekanan: 760 Torr | (1) ACD |
(1) Dihitung menggunakan Perangkat Lunak Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Milik | Nilai | Kondisi | Sumber |
| Obligasi yang Dapat Diputar Secara Bebas | 20 | (1) ACD | |
| Akseptor H | 8 | (1) ACD | |
| Donor H | 2 | (1) ACD | |
| H Jumlah Donor/Akseptor | 10 | (1) ACD | |
| catatan P | 7.397±0.598 | Suhu: 25 °C | (1) ACD |
| Berat Molekul | 631.80 |
(1) Dihitung menggunakan Perangkat Lunak Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Struktur Terkait
| Milik | Nilai | Kondisi | Sumber |
| Luas Permukaan Kutub | 106 Halaman A2 | (1) ACD | |
(1) Dihitung menggunakan Perangkat Lunak Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Panas
| Milik | Nilai | Kondisi | Sumber |
| Titik didih | 779,4±60,0 °C | Tekan: 760 Torr | (1) ACD |
| Entalpi Penguapan | 118,97±3,0kJ/mol | Tekan: 760 Torr | (1) ACD |
| Titik nyala | 425,2±32,9 °C | (1) ACD |
(1) Dihitung menggunakan Perangkat Lunak Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spektrum tersedia
1H NMR
NMR 13C
![L-Ornitinamida, L-valil-N5-(aminokarbonil)-N-[4-(hidroksimetil) fenil]- (9CI, ACI) H335, H319, H315, H302](https://cdn.globalso.com/nvchem/L-Ornithinamide-300x300.jpg)
![C50H58N7O9P Adenosin, N-benzoil-5′-O- [bis(4-metoksifenil)fenilmetil]-2′ – O-(2-metoksi etil)-, 3′ – [2-sianoetil N,N-bis(1-metiletil) fosforamidit] (ACI)](https://cdn.globalso.com/nvchem/C50H58N7O9P-Adenosine-300x300.png)
![C21H21N3O6 Timidin, α – [(1-naftalenilmetil)amino]- α -okso- (ACI)](https://cdn.globalso.com/nvchem/C21H21N3O6-Thymidine-300x300.png)
![C50H60N5O10P Sitidina, N-benzoil-5′-O- [bis(4-metoksifenil)fenilmetil]-2′-O- (2-metoksi etil)- 5-metil-, 3′ – [2-sianoetil N,N-bis(1-metiletil) fosforamidit] (ACI)](https://cdn.globalso.com/nvchem/C50H60N5O10P-Cytidine-300x300.png)
