![C41H39NO6 1-Pyrrolidinecarboxylic acid, 2-[[bis(4-methoxyphenyl)fenylm etoxy]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)fenylm etoxy]methyl]-4-hydroxy-, 9H-fluoren-9-ylmethyl ester, (2S,4R)- (9 CI, ACI) Wêne](https://cdn.globalso.com/nvchem/C41H39NO6-1-Pyrrolidinecarboxylic-acid.jpg)
C41H39NO6 1-Pyrrolidinecarboxylic acid, 2-[[bis(4-methoxyphenyl)fenylm etoxy]methyl]-4-hydroxy-, 9H-fluoren-9-ylmethyl ester, (2S,4R)- (9 CI, ACI)
| Taybetmendiyên fizîkî yên sereke | Giranî | Rewş |
| Giraniya molekulî | 641,75 | - |
| Xala kelandinê (pêşbînîkirî) | 768,7±60,0 °C | Çapemenî: 760 Torr |
| Density (Pêşbîn kirin) | 1,237±0,06 g/cm3 | Germ: 20 °C; Çapemenî: 760 Torr |
| pKa (Pêşbînî kirin) | 14,50±0,40 | Germahiya herî asîdî: 25 °C |
PÊŞÎNÊN kanonîkî 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
PÊŞÎNÊN Îzomerî 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/h3-23,31-32,39,43H, 24-27H2,1-2H3/t31-,32+/m0/s1
InChI Key
QPXSKGJQEBDWES-AJQTZOPKSA-N
2 Navên din ên vê madeyê
1-Pyrrolidinecarboxylic acid, 2-[[bis(4-methoxyphenyl)fenylmethoxy]methyl]-4-hydroxy-, 9H-fluoren-9-ylmethyl ester, (2S-trans)- (ZCI); 9H-Fluoren-9-îlmetîl (2S,4R)-2-[[bis(4-metoksîfenîl)fenîlmetoksî]metîl]-4-hîdroksî-1-pirrolîdînkarboksîlate (ACI)
| Taybetmendiyên berdest |
| Biyolojîkî |
| Şîmyakî |
| Density |
| Lipinski |
| Structure Related |
| Termal |
Biyolojîkî
| Mal | Giranî | Rewş | Kanî |
| Faktora Bioconcentration | 1,00 x 106 | pH 1; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 1,00 x 106 | pH 2; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 1,00 x 106 | pH 3; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 1,00 x 106 | pH 4; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 1,00 x 106 | pH 5; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 1,00 x 106 | pH 6; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 1,00 x 106 | pH 7; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 1,00 x 106 | pH 8; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 1,00 x 106 | pH 9; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 1,00 x 106 | pH 10; Germ: 25 °C | (1) ACD |
(1) Bi karanîna Nermalava Pêşveçûna Kîmyaya Pêşkeftî (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs) tê hesab kirin
Şîmyakî
| Mal | Giranî | Rewş | Kanî |
| Koc | 7,70 x 105 | pH 1; Germ: 25 °C | (1) ACD |
| Koc | 7,70 x 105 | pH 2; Germ: 25 °C | (1) ACD |
| Koc | 7,70 x 105 | pH 3; Germ: 25 °C | (1) ACD |
| Koc | 7,70 x 105 | pH 4; Germ: 25 °C | (1) ACD |
| Koc | 7,70 x 105 | pH 5; Germ: 25 °C | (1) ACD |
| Koc | 7,70 x 105 | pH 6; Germ: 25 °C | (1) ACD |
| Koc | 7,70 x 105 | pH 7; Germ: 25 °C | (1) ACD |
| Koc | 7,70 x 105 | pH 8; Germ: 25 °C | (1) ACD |
| Koc | 7,70 x 105 | pH 9; Germ: 25 °C | (1) ACD |
| Koc | 7,70 x 105 | pH 10; Germ: 25 °C | (1) ACD |
| Mal | Giranî | Rewş | Kanî |
| logD | 8.29 | pH 1; Germ: 25 °C | (1) ACD |
| logD | 8.29 | pH 2; Germ: 25 °C | (1) ACD |
| logD | 8.29 | pH 3; Germ: 25 °C | (1) ACD |
| logD | 8.29 | pH 4; Germ: 25 °C | (1) ACD |
| logD | 8.29 | pH 5; Germ: 25 °C | (1) ACD |
| logD | 8.29 | pH 6; Germ: 25 °C | (1) ACD |
| logD | 8.29 | pH 7; Germ: 25 °C | (1) ACD |
| logD | 8.29 | pH 8; Germ: 25 °C | (1) ACD |
| logD | 8.29 | pH 9; Germ: 25 °C | (1) ACD |
| logD | 8.29 | pH 10; Germ: 25 °C | (1) ACD |
| logP | 8,289±0,729 | Germ: 25 °C | (1) ACD |
| Mass Intrinsic Çareseriya | 4,7 x 10-6 g/L | Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 4,7 x 10-6 g/L | pH 1; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 4,7 x 10-6 g/L | pH 2; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 4,7 x 10-6 g/L | pH 3; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 4,7 x 10-6 g/L | pH 4; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 4,7 x 10-6 g/L | pH 5; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 4,7 x 10-6 g/L | pH 6; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 4,7 x 10-6 g/L | pH 7; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 4,7 x 10-6 g/L | pH 8; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 4,7 x 10-6 g/L | pH 9; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 4,7 x 10-6 g/L | pH 10; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 4,7 x 10-6 g/L | pH ava nebuffered 7,00; Germ: 25 °C | (1) ACD |
| Çareseriya Xweseriya Molar | 7,3 x 10-9 mol/L | Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 7,3 x 10-9 mol/L | pH 1; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 7,3 x 10-9 mol/L | pH 2; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 7,3 x 10-9 mol/L | pH 3; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 7,3 x 10-9 mol/L | pH 4; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 7,3 x 10-9 mol/L | pH 5; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 7,3 x 10-9 mol/L | pH 6; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 7,3 x 10-9 mol/L | pH 7; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 7,3 x 10-9 mol/L | pH 8; Germ: 25 °C | (1) ACD |
| Mal | Giranî | Rewş | Kanî |
| Çareseriya Molar | 7,3 x 10-9 mol/L | pH 9; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 7,3 x 10-9 mol/L | pH 10; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 7,3 x 10-9 mol/L | pH ava nebuffered 7,00; Germ: 25 °C | (1) ACD |
| Giraniya molekulî | 641,75 | ||
| pKa | 14,50±0,40 | Germahiya herî asîdî: 25 °C | (1) ACD |
| pKa | -3,24±0,60 | Germahiya herî bingehîn: 25 °C | (1) ACD |
| Vapor Pressure | 7,42 x 10-25 Torr | Germ: 25 °C | (1) ACD |
(1) Bi karanîna Nermalava Pêşveçûna Kîmyaya Pêşkeftî (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs) tê hesab kirin
Density
| Mal | Giranî | Rewş | Kanî |
| Density | 1,237±0,06 g/cm3 | Germ: 20 °C; Çapemenî: 760 Torr | (1) ACD |
| Volume Molar | 518,4±3,0 cm3/mol | Germ: 20 °C; Çapemenî: 760 Torr | (1) ACD |
(1) Bi karanîna Nermalava Pêşveçûna Kîmyaya Pêşkeftî (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs) tê hesab kirin
Lipinski
| Mal | Giranî | Rewş | Kanî |
| Bonds Bi Azadî Rotable | 12 | (1) ACD | |
| H Qebûrker | 7 | (1) ACD | |
| H Donors | 1 | (1) ACD | |
| H Donor / Qebûl Sum | 8 | (1) ACD | |
| logP | 8,289±0,729 | Germ: 25 °C | (1) ACD |
| Giraniya molekulî | 641,75 |
(1) Bi karanîna Nermalava Pêşveçûna Kîmyaya Pêşkeftî (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs) tê hesab kirin
Structure Related
| Mal | Giranî | Rewş | Kanî |
| Qada Rûyê Polar | 77,5 A2 | (1) ACD | |
(1) Bi karanîna Nermalava Pêşveçûna Kîmyaya Pêşkeftî (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs) tê hesab kirin
Termal
| Mal | Giranî | Rewş | Kanî |
| Xala kelandinê | 768,7±60,0 °C | Çapemenî: 760 Torr | (1) ACD |
| Entalpiya Vaporîzasyonê | 117,42±3,0 kJ/mol | Çapemenî: 760 Torr | (1) ACD |
| Flash Point | 418,7±32,9 °C | (1) ACD |
(1) Bi karanîna Nermalava Pêşveçûna Kîmyaya Pêşkeftî (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs) tê hesab kirin
Spectra heye
1H NMR
13C NMR
![C48H54N7O8P Adenosine, N-benzoyl-5' -O- [bis(4-metoksîfenîl)fenîlmethyl]-2' – O-methyl-, 3' – [2-cyanoethyl N,N-bis(1-methylethyl)fosfor amidite] (ACI)](https://cdn.globalso.com/nvchem/C48H54N7O8P-300x300.png)
![C43H55N4O10P Uridine, 5' -O- [bis(4-metoksîfenîl)fenîlmethyl]-2' -O-(2-metoks yetîl)- 5-metîl-, 3' – [2-cyanoethyl N,N-bis(1- methylethyl) fosfor amidît] (ACI)](https://cdn.globalso.com/nvchem/C43H55N4O10P-Uridine-300x300.png)
![C38H49NO7 1- Pirrolîdinedodecanoic acid, 2- [[bis(4-methoxyphenyl)fenylm etoxy]methyl]-4-hydroxy-λ-oxo-, (2S,4R)- (ACI)](https://cdn.globalso.com/nvchem/C38H49NO7-1-Pyrrolidinedodecanoic-acid-300x300.jpg)