![C38H49NO7 1- Asid pyrrolidinedodecanoic, 2- [[bis(4-methoxyphenyl)phenylm ethoxy]methyl]-4-hydroxy-λ-oxo-, (2S,4R)- (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C38H49NO7 1- Asid Pyrrolidinedodecanoic, 2- [[bis(4-methoxyphenyl)phenylm ethoxy]methyl]-4-hydroxy-λ-oxo-, (2S,4R)- (ACI) Imej Pilihan](https://cdn.globalso.com/nvchem/C38H49NO7-1-Pyrrolidinedodecanoic-acid.jpg)
C38H49NO7 1- Asid pyrrolidinedodecanoic, 2- [[bis(4-methoxyphenyl)phenylm ethoxy]methyl]-4-hydroxy-λ-oxo-, (2S,4R)- (ACI)
| Sifat Fizikal Utama | Nilai | keadaan |
| Berat Molekul | 631.80 | - |
| Takat Didih (Diramalkan) | 779.4±60.0 °C | Akhbar: 760 Torr |
| Ketumpatan (Diramalkan) | 1.154±0.06 g/cm3 | Suhu: 20 °C; Akhbar: 760 Torr |
| pKa (Diramalkan) | 4.78±0.10 | Suhu Paling Berasid: 25 °C |
SENYUMAN Canonical O=C(O)CCCCCCCCCC(=O)N1CC(O)CC1COC(C=2C=CC=CC2)(C3=CC=C(OC)C=C3)C4=CC=C(OC)C=C4
SENYUMAN 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
InChI
InChI=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/j9-11,14-15,18-25,32- 33,40H,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 Bahan ini
(2S,4R)-2-[[Bis(4-methoxyphenyl)phenylmethoxy]methyl]-4-hydroxy-λ-oxo-1-pyrrolidinedodecanoic acid (ACI)
| Hartanah tersedia |
| Biologi |
| bahan kimia |
| Ketumpatan |
| Lipinski |
| Berkaitan Struktur |
| terma |
Biologi
| Harta benda | Nilai | keadaan | Sumber |
| Faktor Biopekatan | 2.46 x 105 | pH 1; Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 2.46 x 105 | pH 2; Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 2.42 x 105 | pH 3; Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 2.11 x 105 | pH 4; Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 92400 | pH 5; Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 14000 | pH 6; Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 1510 | pH 7; Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 192 | pH 8; Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 58.6 | pH 9; Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 45.3 | 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 | 2.52 x 105 | pH 1; Suhu: 25 °C | (1) ACD |
| Koc | 2.51 x 105 | pH 2; Suhu: 25 °C | (1) ACD |
| Koc | 2.47 x 105 | pH 3; Suhu: 25 °C | (1) ACD |
| Koc | 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 | 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 |
| logD | 7.40 | pH 1; Suhu: 25 °C | (1) ACD |
| Harta benda | Nilai | keadaan | Sumber |
| logD | 7.40 | pH 2; Suhu: 25 °C | (1) ACD |
| logD | 7.39 | pH 3; Suhu: 25 °C | (1) ACD |
| logD | 7.33 | pH 4; Suhu: 25 °C | (1) ACD |
| logD | 6.97 | pH 5; Suhu: 25 °C | (1) ACD |
| logD | 6.15 | pH 6; Suhu: 25 °C | (1) ACD |
| logD | 5.19 | pH 7; Suhu: 25 °C | (1) ACD |
| logD | 4.29 | pH 8; Suhu: 25 °C | (1) ACD |
| logD | 3.77 | pH 9; Suhu: 25 °C | (1) ACD |
| logD | 3.66 | pH 10; Suhu: 25 °C | (1) ACD |
| logP | 7.397±0.598 | Suhu: 25 °C | (1) ACD |
| Keterlarutan Intrinsik Jisim | 1.3 x 10-4 g/L | Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 1.3 x 10-4 g/L | pH 1; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 1.3 x 10-4 g/L | pH 2; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 1.3 x 10-4 g/L | pH 3; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 1.5 x 10-4 g/L | pH 4; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 3.5 x 10-4 g/L | pH 5; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 2.3 x 10-3 g/L | pH 6; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 0.021 g/L | pH 7; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 0.17 g/L | pH 8; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 0.55 g/L | pH 9; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 0.69 g/L | pH 10; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 1.3 x 10-3 g/L | Air Tidak Penampan pH 5.73; Suhu: 25 °C | (1) ACD |
| Keterlarutan Intrinsik Molar | 2.1 x 10-7 mol/L | Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 2.1 x 10-7 mol/L | pH 1; Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 2.1 x 10-7 mol/L | pH 2; Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 2.1 x 10-7 mol/L | pH 3; Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 2.4 x 10-7 mol/L | pH 4; Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 5.5 x 10-7 mol/L | pH 5; Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 3.6 x 10-6 mol/L | pH 6; Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 3.4 x 10-5 mol/L | pH 7; Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 2.7 x 10-4 mol/L | pH 8; Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 8.7 x 10-4 mol/L | pH 9; Suhu: 25 °C | (1) ACD |
| Harta benda | Nilai | keadaan | Sumber |
| Keterlarutan Molar | 1.1 x 10-3 mol/L | pH 10; Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 2.1 x 10-6 mol/L | Air Tidak Penampan pH 5.73; Suhu: 25 °C | (1) ACD |
| Berat Molekul | 631.80 | ||
| pKa | 4.78±0.10 | Suhu Paling Berasid: 25 °C | (1) ACD |
| pKa | -2.31±0.60 | Suhu Paling Asas: 25 °C | (1) ACD |
| Tekanan Wap | 1.42 x 10-25 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 | 1.154±0.06 g/cm3 | Suhu: 20 °C; Akhbar: 760 Torr | (1) ACD |
| Isipadu Molar | 547.3±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 | 20 | (1) ACD | |
| H Penerima | 8 | (1) ACD | |
| H Penderma | 2 | (1) ACD | |
| H Jumlah Penderma/Penerima | 10 | (1) ACD | |
| logP | 7.397±0.598 | Suhu: 25 °C | (1) ACD |
| Berat Molekul | 631.80 |
(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 | 106 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 | 779.4±60.0 °C | Akhbar: 760 Torr | (1) ACD |
| Entalpi Pengewapan | 118.97±3.0 kJ/mol | Akhbar: 760 Torr | (1) ACD |
| Titik Kilat | 425.2±32.9 °C | (1) ACD |
(1) Dikira menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spektrum tersedia
1H NMR
13C NMR
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![C50H58N7O9P Adenosine, N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ – O-(2-methoxyethyl)-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl) phosphoramidite] (ACI)](https://cdn.globalso.com/nvchem/C50H58N7O9P-Adenosine-300x300.png)
![C21H21N3O6 Timidin, α – [(1-naftalenylmetil)amino]- α -oxo- (ACI)](https://cdn.globalso.com/nvchem/C21H21N3O6-Thymidine-300x300.png)
![C50H60N5O10P Cytidine, N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O- (2-methoxyethyl)- 5-methyl-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl) phosphoramidite] (ACI)](https://cdn.globalso.com/nvchem/C50H60N5O10P-Cytidine-300x300.png)
