![C41H39NO6 1-Asid Pyrrolidinecarboxylic, 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) Image](https://cdn.globalso.com/nvchem/C41H39NO6-1-Pyrrolidinecarboxylic-acid.jpg)
C41H39NO6 1-Asid Pyrrolidinecarboxylic, 2-[[bis(4-methoxyphenyl)phenylm ethoxy]methyl]-4-hydroxy-, 9H-fluoren-9-ylmethyl ester, (2S,4R)- (9 CI, ACI)
| Priodweddau Ffisegol Allweddol | Gwerth | Cyflwr |
| Pwysau Moleciwlaidd | 641.75 | - |
| Berwbwynt (Rhagweld) | 768.7 ±60.0 °C | Gwasg: 760 Torr |
| Dwysedd (Rhagweld) | 1.237 ± 0.06 g/cm3 | Tymheredd: 20 ° C;Gwasg: 760 Torr |
| pKa (Rhagweld) | 14.50±0.40 | Tymheredd Mwyaf Asidig: 25 °C |
Canonical GWENAU 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
Isomeric 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=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
Allwedd InChI
QPXSKGJQEBDWES-AJQTZOPKSA-N
2 Enwau Eraill ar y Sylwedd hwn
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)
| Eiddo ar gael |
| Biolegol |
| Cemegol |
| Dwysedd |
| Lipinski |
| Strwythur Cysylltiedig |
| Thermol |
Biolegol
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Ffactor Bio-ganolbwyntio | 1.00 x 106 | pH 1;Tymheredd: 25 °C | (1) ACD |
| Ffactor Bio-ganolbwyntio | 1.00 x 106 | pH 2;Tymheredd: 25 °C | (1) ACD |
| Ffactor Bio-ganolbwyntio | 1.00 x 106 | pH 3;Tymheredd: 25 °C | (1) ACD |
| Ffactor Bio-ganolbwyntio | 1.00 x 106 | pH 4;Tymheredd: 25 °C | (1) ACD |
| Ffactor Bio-ganolbwyntio | 1.00 x 106 | pH 5;Tymheredd: 25 °C | (1) ACD |
| Ffactor Bio-ganolbwyntio | 1.00 x 106 | pH 6;Tymheredd: 25 °C | (1) ACD |
| Ffactor Bio-ganolbwyntio | 1.00 x 106 | pH 7;Tymheredd: 25 °C | (1) ACD |
| Ffactor Bio-ganolbwyntio | 1.00 x 106 | pH 8;Tymheredd: 25 °C | (1) ACD |
| Ffactor Bio-ganolbwyntio | 1.00 x 106 | pH 9;Tymheredd: 25 °C | (1) ACD |
| Ffactor Bio-ganolbwyntio | 1.00 x 106 | pH 10;Tymheredd: 25 °C | (1) ACD |
(1) Wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygiad Cemeg Uwch (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Cemegol
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Koc | 7.70 x 105 | pH 1;Tymheredd: 25 °C | (1) ACD |
| Koc | 7.70 x 105 | pH 2;Tymheredd: 25 °C | (1) ACD |
| Koc | 7.70 x 105 | pH 3;Tymheredd: 25 °C | (1) ACD |
| Koc | 7.70 x 105 | pH 4;Tymheredd: 25 °C | (1) ACD |
| Koc | 7.70 x 105 | pH 5;Tymheredd: 25 °C | (1) ACD |
| Koc | 7.70 x 105 | pH 6;Tymheredd: 25 °C | (1) ACD |
| Koc | 7.70 x 105 | pH 7;Tymheredd: 25 °C | (1) ACD |
| Koc | 7.70 x 105 | pH 8;Tymheredd: 25 °C | (1) ACD |
| Koc | 7.70 x 105 | pH 9;Tymheredd: 25 °C | (1) ACD |
| Koc | 7.70 x 105 | pH 10;Tymheredd: 25 °C | (1) ACD |
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| logD | 8.29 | pH 1;Tymheredd: 25 °C | (1) ACD |
| logD | 8.29 | pH 2;Tymheredd: 25 °C | (1) ACD |
| logD | 8.29 | pH 3;Tymheredd: 25 °C | (1) ACD |
| logD | 8.29 | pH 4;Tymheredd: 25 °C | (1) ACD |
| logD | 8.29 | pH 5;Tymheredd: 25 °C | (1) ACD |
| logD | 8.29 | pH 6;Tymheredd: 25 °C | (1) ACD |
| logD | 8.29 | pH 7;Tymheredd: 25 °C | (1) ACD |
| logD | 8.29 | pH 8;Tymheredd: 25 °C | (1) ACD |
| logD | 8.29 | pH 9;Tymheredd: 25 °C | (1) ACD |
| logD | 8.29 | pH 10;Tymheredd: 25 °C | (1) ACD |
| logP | 8.289±0.729 | Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Cynhenid Torfol | 4.7 x 10-6 g/L | Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 4.7 x 10-6 g/L | pH 1;Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 4.7 x 10-6 g/L | pH 2;Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 4.7 x 10-6 g/L | pH 3;Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 4.7 x 10-6 g/L | pH 4;Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 4.7 x 10-6 g/L | pH 5;Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 4.7 x 10-6 g/L | pH 6;Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 4.7 x 10-6 g/L | pH 7;Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 4.7 x 10-6 g/L | pH 8;Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 4.7 x 10-6 g/L | pH 9;Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 4.7 x 10-6 g/L | pH 10;Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 4.7 x 10-6 g/L | Dŵr heb ei glustogi pH 7.00;Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Cynhenid molar | 7.3 x 10-9 môl/L | Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 7.3 x 10-9 môl/L | pH 1;Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 7.3 x 10-9 môl/L | pH 2;Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 7.3 x 10-9 môl/L | pH 3;Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 7.3 x 10-9 môl/L | pH 4;Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 7.3 x 10-9 môl/L | pH 5;Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 7.3 x 10-9 môl/L | pH 6;Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 7.3 x 10-9 môl/L | pH 7;Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 7.3 x 10-9 môl/L | pH 8;Tymheredd: 25 °C | (1) ACD |
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Hydoddedd Molar | 7.3 x 10-9 môl/L | pH 9;Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 7.3 x 10-9 môl/L | pH 10;Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 7.3 x 10-9 môl/L | Dŵr heb ei glustogi pH 7.00;Tymheredd: 25 °C | (1) ACD |
| Pwysau Moleciwlaidd | 641.75 | ||
| pKa | 14.50±0.40 | Tymheredd Mwyaf Asidig: 25 °C | (1) ACD |
| pKa | -3.24±0.60 | Tymheredd Mwyaf Sylfaenol: 25 °C | (1) ACD |
| Pwysedd Anwedd | 7.42 x 10-25 Torr | Tymheredd: 25 °C | (1) ACD |
(1) Wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygiad Cemeg Uwch (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Dwysedd
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Dwysedd | 1.237 ± 0.06 g/cm3 | Tymheredd: 20 ° C;Gwasg: 760 Torr | (1) ACD |
| Cyfrol Molar | 518.4 ±3.0 cm3/mol | Tymheredd: 20 ° C;Gwasg: 760 Torr | (1) ACD |
(1) Wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygiad Cemeg Uwch (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Bondiau Cylchdroadwy | 12 | (1) ACD | |
| H Derbynwyr | 7 | (1) ACD | |
| H Rhoddwyr | 1 | (1) ACD | |
| H Swm Rhoddwr/Derbynnydd | 8 | (1) ACD | |
| logP | 8.289±0.729 | Tymheredd: 25 °C | (1) ACD |
| Pwysau Moleciwlaidd | 641.75 |
(1) Wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygiad Cemeg Uwch (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Strwythur Cysylltiedig
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Arwynebedd Pegynol | 77.5 A2 | (1) ACD | |
(1) Wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygiad Cemeg Uwch (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Thermol
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Berwbwynt | 768.7 ±60.0 °C | Gwasg: 760 Torr | (1) ACD |
| Enthalpi o Anweddu | 117.42 ±3.0 kJ/mol | Gwasg: 760 Torr | (1) ACD |
| Pwynt fflach | 418.7 ±32.9 °C | (1) ACD |
(1) Wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygiad Cemeg Uwch (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Sbectra ar gael
1H NMR
13C NMR
![C48H54N7O8P Adenosine, N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ – O-methyl-, 3′ – [2-cyanoethyl N, N-bis(1-methylethyl)phosphor amidite] (ACI)](https://cdn.globalso.com/nvchem/C48H54N7O8P-300x300.png)
![118 Re36H44N2O8Si Uridine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-[(1,1- dimethylethyl)dimethylsilyl]- (9CI, ACI)](https://cdn.globalso.com/nvchem/118-Re36H44N2O8Si-Uridine-300x300.jpg)
![C43H55N4O10P Uridine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O- (2-methox yethyl)- 5-methyl-, 3′ - [2-cyanoethyl N,N-bis(1- methylethyl)ffosffor amidite] (ACI)](https://cdn.globalso.com/nvchem/C43H55N4O10P-Uridine-300x300.png)
![C44H53FN7O8 Guanosine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -deoxy-2′ – fflworo-N-(2-methyl-1-ocsopropyl)-, 3′ – [2-cyanoethyl N, N-bis(1-methyl ethyl)phosphoramidite] (ACI)](https://cdn.globalso.com/nvchem/C44H53FN7O8-300x300.png)
![C41H43N3O9 Cytidine, N-benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O- (2-methoxyethyl)-5-methyl- (9CI, ACI) H335, H319, H315](https://cdn.globalso.com/nvchem/C41H43N3O9-Cytidine-300x300.jpg)