![C41H39NO6 1-Pyrrolidinecarboxylic acid, 2-[[bis(4-methoxyphenyl)phenylm ethoxy]methyl]-4-hydroxy-, 9H-fluoren-9-ylmethyl ester, (2S,4R)- (9 CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C41H39NO6 1-Pyrrolidinecarboxylic acid, 2-[[bis(4-methoxyphenyl)phenylm ethoxy]methyl]-4-hydroxy-, 9H-fluoren-9-ylmethyl ester, (2S,4R)- (9 CI, ACI) Imej Pilihan](https://cdn.globalso.com/nvchem/C41H39NO6-1-Pyrrolidinecarboxylic-acid.jpg)
C41H39NO6 1-Pyrrolidinecarboxylic acid, 2-[[bis(4-methoxyphenyl)phenylm ethoxy]methyl]-4-hydroxy-, 9H-fluoren-9-ylmethyl ester, (2S,4R)- (9 CI, ACI)
| Sifat Fizikal Utama | Nilai | keadaan |
| Berat Molekul | 641.75 | - |
| Takat Didih (Diramalkan) | 768.7±60.0 °C | Akhbar: 760 Torr |
| Ketumpatan (Diramalkan) | 1.237±0.06 g/cm3 | Suhu: 20 °C; Akhbar: 760 Torr |
| pKa (Diramalkan) | 14.50±0.40 | Suhu Paling Berasid: 25 °C |
SENYUMAN Canonical 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
SENYUMAN Isomerik 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
InChI
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/j3-23,31-32,39,43H, 24-27H2,1-2H3/t31-,32+/m0/s1
Kunci InChI
QPXSKGJQEBDWES-AJQTZOPKSA-N
2 Nama Lain untuk Bahan ini
Asid 1-Pyrrolidinecarboxylic, 2-[[bis(4-methoxyphenyl)phenylmethoxy]methyl]-4-hydroxy-, 9H-fluoren-9-ylmethyl ester, (2S-trans)- (ZCI); 9H-Fluoren-9-ylmethyl (2S,4R)-2-[[bis(4-methoxyphenyl)phenylmethoxy]methyl]-4-hydroxy-1-pyrrolidinecarboxylate (ACI)
| Hartanah tersedia |
| Biologi |
| bahan kimia |
| Ketumpatan |
| Lipinski |
| Berkaitan Struktur |
| terma |
Biologi
| Harta benda | Nilai | keadaan | Sumber |
| Faktor Biopekatan | 1.00 x 106 | pH 1; Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 1.00 x 106 | pH 2; Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 1.00 x 106 | pH 3; Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 1.00 x 106 | pH 4; Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 1.00 x 106 | pH 5; Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 1.00 x 106 | pH 6; Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 1.00 x 106 | pH 7; Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 1.00 x 106 | pH 8; Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 1.00 x 106 | pH 9; Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 1.00 x 106 | 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 | 7.70 x 105 | pH 1; Suhu: 25 °C | (1) ACD |
| Koc | 7.70 x 105 | pH 2; Suhu: 25 °C | (1) ACD |
| Koc | 7.70 x 105 | pH 3; Suhu: 25 °C | (1) ACD |
| Koc | 7.70 x 105 | pH 4; Suhu: 25 °C | (1) ACD |
| Koc | 7.70 x 105 | pH 5; Suhu: 25 °C | (1) ACD |
| Koc | 7.70 x 105 | pH 6; Suhu: 25 °C | (1) ACD |
| Koc | 7.70 x 105 | pH 7; Suhu: 25 °C | (1) ACD |
| Koc | 7.70 x 105 | pH 8; Suhu: 25 °C | (1) ACD |
| Koc | 7.70 x 105 | pH 9; Suhu: 25 °C | (1) ACD |
| Koc | 7.70 x 105 | pH 10; Suhu: 25 °C | (1) ACD |
| Harta benda | Nilai | keadaan | 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 |
| Keterlarutan Intrinsik Jisim | 4.7 x 10-6 g/L | Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 4.7 x 10-6 g/L | pH 1; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 4.7 x 10-6 g/L | pH 2; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 4.7 x 10-6 g/L | pH 3; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 4.7 x 10-6 g/L | pH 4; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 4.7 x 10-6 g/L | pH 5; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 4.7 x 10-6 g/L | pH 6; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 4.7 x 10-6 g/L | pH 7; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 4.7 x 10-6 g/L | pH 8; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 4.7 x 10-6 g/L | pH 9; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 4.7 x 10-6 g/L | pH 10; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 4.7 x 10-6 g/L | Air Tidak Penampan pH 7.00; Suhu: 25 °C | (1) ACD |
| Keterlarutan Intrinsik Molar | 7.3 x 10-9 mol/L | Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 7.3 x 10-9 mol/L | pH 1; Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 7.3 x 10-9 mol/L | pH 2; Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 7.3 x 10-9 mol/L | pH 3; Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 7.3 x 10-9 mol/L | pH 4; Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 7.3 x 10-9 mol/L | pH 5; Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 7.3 x 10-9 mol/L | pH 6; Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 7.3 x 10-9 mol/L | pH 7; Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 7.3 x 10-9 mol/L | pH 8; Suhu: 25 °C | (1) ACD |
| Harta benda | Nilai | keadaan | Sumber |
| Keterlarutan Molar | 7.3 x 10-9 mol/L | pH 9; Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 7.3 x 10-9 mol/L | pH 10; Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 7.3 x 10-9 mol/L | Air Tidak Penampan pH 7.00; Suhu: 25 °C | (1) ACD |
| Berat Molekul | 641.75 | ||
| pKa | 14.50±0.40 | Suhu Paling Berasid: 25 °C | (1) ACD |
| pKa | -3.24±0.60 | Suhu Paling Asas: 25 °C | (1) ACD |
| Tekanan Wap | 7.42 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 | 1.237±0.06 g/cm3 | Suhu: 20 °C; Akhbar: 760 Torr | (1) ACD |
| Isipadu Molar | 518.4±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 | 12 | (1) ACD | |
| H Penerima | 7 | (1) ACD | |
| H Penderma | 1 | (1) ACD | |
| H Jumlah Penderma/Penerima | 8 | (1) ACD | |
| logP | 8.289±0.729 | Suhu: 25 °C | (1) ACD |
| Berat Molekul | 641.75 |
(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 | 77.5 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 | 768.7±60.0 °C | Akhbar: 760 Torr | (1) ACD |
| Entalpi Pengewapan | 117.42±3.0 kJ/mol | Akhbar: 760 Torr | (1) ACD |
| Titik Kilat | 418.7±32.9 °C | (1) ACD |
(1) Dikira menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spectra tersedia
1H NMR
13C NMR
![C48H54N7O8P Adenosine, N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ – O-metil-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl)phosphor amidite] (ACI)](https://cdn.globalso.com/nvchem/C48H54N7O8P-300x300.png)
![C43H55N4O10P Uridin, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-(2-methox yethyl)- 5-methyl-, 3′ – [2-cyanoethyl N,N-bis(1- metiletil)fosfor amidit] (ACI)](https://cdn.globalso.com/nvchem/C43H55N4O10P-Uridine-300x300.png)
![C53H66N7O8PSi NO. CAS: 104992-55-4 Adenosine, N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ – O- [(1,1-dimethylethyl)dimethylsilyl]-, 3′ – [2-cyanoethyl N,N-bis(1- methylethyl)...](https://cdn.globalso.com/nvchem/C53H66N7O8PSi-300x300.png)
![C38H49NO7 1- Asid pyrrolidinedodecanoic, 2- [[bis(4-methoxyphenyl)phenylm ethoxy]methyl]-4-hydroxy-λ-oxo-, (2S,4R)- (ACI)](https://cdn.globalso.com/nvchem/C38H49NO7-1-Pyrrolidinedodecanoic-acid-300x300.jpg)