![C41H39NO6 1-Asam pirolidinkarboksilat, 2-[[bis(4-metoksifenil)fenil 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-Pyrrolidinecarboxylic acid, 2-[[bis(4-methoxyphenyl)phenylm ethoxy]methyl]-4-hydroxy-, 9H-fluoren-9-ylmethyl 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)fenil etoksi]metil]-4-hidroksi-, 9H-fluoren-9-ilmetil ester, (2S,4R)- (9 CI, ACI)
| Properti Fisik Kunci | Nilai | kahanan |
| Bobot Molekul | 641.75 | - |
| Titik didih (diprediksi) | 768,7±60,0 °C | Pencet: 760 Torr |
| Kapadhetan (Prediksi) | 1,237±0,06 g/cm3 | Suhu: 20 °C; Pencet: 760 Torr |
| pKa (Prediksi) | 14.50±0.40 | Suhu Paling Asam: 25 °C |
SENYUMAN kanonik 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
Isomerik SMILES 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
IngChI
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/h3-23,31-32,39,43H,24-27H2,1-2H3/t31-,32+/m
Kunci Inchi
QPXSKGJQEBDWES-AJQTZOPKSA-N
2 Jeneng Liyane kanggo Zat iki
Asam 1-Pyrrolidinecarboxylic, 2-[[bis(4-methoxyphenyl)phenylmethoxy]methyl]-4-hydroxy-, 9H-fluoren-9-ylmethyl ester, (2S-trans)- (ZCI); 9H-Fluoren-9-ilmetil (2S,4R)-2-[[bis(4-metoksifenil)fenilmetoksi]metil]-4-hidroksi-1-pirolidinkarboksilat (ACI)
| Properti kasedhiya |
| biologi |
| Kimia |
| Kapadhetan |
| Lipinski |
| Struktur Gegandhengan |
| Thermal |
biologi
| Properti | Nilai | kahanan | Sumber |
| Faktor biokonsentrasi | 1,00 x 106 | pH 1; Suhu: 25 °C | (1) ACD |
| Faktor biokonsentrasi | 1,00 x 106 | pH 2; Suhu: 25 °C | (1) ACD |
| Faktor biokonsentrasi | 1,00 x 106 | pH 3; Suhu: 25 °C | (1) ACD |
| Faktor biokonsentrasi | 1,00 x 106 | pH 4; Suhu: 25 °C | (1) ACD |
| Faktor biokonsentrasi | 1,00 x 106 | pH 5; Suhu: 25 °C | (1) ACD |
| Faktor biokonsentrasi | 1,00 x 106 | pH 6; Suhu: 25 °C | (1) ACD |
| Faktor biokonsentrasi | 1,00 x 106 | pH 7; Suhu: 25 °C | (1) ACD |
| Faktor biokonsentrasi | 1,00 x 106 | pH 8; Suhu: 25 °C | (1) ACD |
| Faktor biokonsentrasi | 1,00 x 106 | pH 9; Suhu: 25 °C | (1) ACD |
| Faktor biokonsentrasi | 1,00 x 106 | pH 10; Suhu: 25 °C | (1) ACD |
(1) Dietung nggunakake Piranti Lunak Pengembangan Kimia Lanjut (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Kimia
| Properti | Nilai | kahanan | 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 |
| Properti | Nilai | kahanan | 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 | 4,7 x 10-6 g/L | Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 4,7 x 10-6 g/L | pH 1; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 4,7 x 10-6 g/L | pH 2; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 4,7 x 10-6 g/L | pH 3; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 4,7 x 10-6 g/L | pH 4; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 4,7 x 10-6 g/L | pH 5; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 4,7 x 10-6 g/L | pH 6; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 4,7 x 10-6 g/L | pH 7; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 4,7 x 10-6 g/L | pH 8; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 4,7 x 10-6 g/L | pH 9; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 4,7 x 10-6 g/L | pH 10; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 4,7 x 10-6 g/L | Banyu Unbuffered 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 | kahanan | 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 | Banyu Unbuffered pH 7,00; Suhu: 25 °C | (1) ACD |
| Bobot 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 | 7,42 x 10-25 Torr | Suhu: 25 °C | (1) ACD |
(1) Dietung nggunakake Piranti Lunak Pengembangan Kimia Lanjut (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Kapadhetan
| Properti | Nilai | kahanan | Sumber |
| Kapadhetan | 1,237±0,06 g/cm3 | Suhu: 20 °C; Pencet: 760 Torr | (1) ACD |
| Volume Molar | 518,4±3,0 cm3/mol | Suhu: 20 °C; Pencet: 760 Torr | (1) ACD |
(1) Dietung nggunakake Piranti Lunak Pengembangan Kimia Lanjut (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Properti | Nilai | kahanan | Sumber |
| Obligasi sing bisa diputer kanthi 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 |
| Bobot Molekul | 641.75 |
(1) Dietung nggunakake Piranti Lunak Pengembangan Kimia Lanjut (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Struktur Gegandhengan
| Properti | Nilai | kahanan | Sumber |
| Area lumahing kutub | 77.5 A2 | (1) ACD | |
(1) Dietung nggunakake Piranti Lunak Pengembangan Kimia Lanjut (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Thermal
| Properti | Nilai | kahanan | Sumber |
| Titik didih | 768,7±60,0 °C | Pencet: 760 Torr | (1) ACD |
| Entalpi Penguapan | 117,42±3,0 kJ/mol | Pencet: 760 Torr | (1) ACD |
| Titik Flash | 418,7±32,9 °C | (1) ACD |
(1) Dietung nggunakake Piranti Lunak Pengembangan Kimia Lanjut (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spectra kasedhiya
1H NMR
13C NMR
![C30H28N2O7 6H-Furo[2′,3′:4,5]oksazolo[3,2-a]pirimidin-6-siji, 2-[[bis(4-metoksi fenil)fenilmetoksi]metil]-2,3,3a,9a-tetrahidro-3-hidroksi-, (2R)-(9R)](https://cdn.globalso.com/nvchem/C30H28N2O7-6H-Furo-300x300.jpg)
![L-Ornithinamide, L-valyl-N5-(aminocarbonyl)-N-[4-(hydroxymethyl) phenyl]- (9CI, ACI) H335, H319, H315, H302](https://cdn.globalso.com/nvchem/L-Ornithinamide-300x300.jpg)
![C31H30N2O7 6H-Furo[2′,3′:4,5]oksazolo[3,2-a]pirimidin-6-siji, 2-[[bis(4-metoksi fenil)fenilmetoksi]metil]-2,3,3a,9a-tetrahidro-3-hidroksi-, (2-R, 3-hidroksi-, (2-R) (9CI, ACI)](https://cdn.globalso.com/nvchem/C31H30N2O7-6H-Furo-300x300.jpg)
