![C41H39NO6 asid 1-Pyrrolidinecarboxylig, 2-[[bis(4-methoxyphenyl)phenylmethyl ethoxy]methyl]-4-hydroxy-, 9H-fflworen-9-ylmethyl ester, (2S,4R)- (9 CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![Asid 1-Pyrrolidinecarboxylig, 2-[[bis(4-methoxyphenyl)phenylmethyl ethoxy]methyl]-4-hydroxy-, ester 9H-fluoren-9-ylmethyl, (2S,4R)- (9 CI, ACI) Delwedd Nodwedd](https://cdn.globalso.com/nvchem/C41H39NO6-1-Pyrrolidinecarboxylic-acid.jpg)
C41H39NO6 asid 1-Pyrrolidinecarboxylig, 2-[[bis(4-methoxyphenyl)phenylmethyl ethoxy]methyl]-4-hydroxy-, 9H-fflworen-9-ylmethyl ester, (2S,4R)- (9 CI, ACI)
| Priodweddau Ffisegol Allweddol | Gwerth | Cyflwr |
| Pwysau Moleciwlaidd | 641.75 | - |
| Pwynt Berwi (Rhagfynegedig) | 768.7±60.0 °C | Gwasg: 760 Torr |
| Dwysedd (Rhagfynegedig) | 1.237±0.06 g/cm3 | Tymheredd: 20 °C; Gwasgedd: 760 Torr |
| pKa (Rhagfynegedig) | 14.50±0.40 | Tymheredd Mwyaf Asidig: 25 °C |
GWENAU Canonaidd 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
GWÊNAU Isomerig 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+/m
Allwedd InChI
QPXSKGJQEBDWES-AJQTZOPKSA-N
2 Enw Arall ar gyfer y Sylwedd hwn
Asid 1-Pyrrolidinecarboxylig, 2-[[bis(4-methoxyphenyl)phenylmethoxy]methyl]-4-hydroxy-, ester 9H-fluoren-9-ylmethyl, (2S-trans)- (ZCI); 9H-Fflworen-9-ylmethyl (2S,4R)-2-[[bis(4-methoxyphenyl)phenylmethoxy]methyl]-4-hydroxy-1-pyrrolidinecarboxylate (ACI)
| Eiddo sydd ar gael |
| Biolegol |
| Cemegol |
| Dwysedd |
| Lipinski |
| Cysylltiedig â Strwythur |
| Thermol |
Biolegol
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Ffactor Biogrynodiad | 1.00 x 106 | pH 1; Tymheredd: 25 °C | (1) ACD |
| Ffactor Biogrynodiad | 1.00 x 106 | pH 2; Tymheredd: 25 °C | (1) ACD |
| Ffactor Biogrynodiad | 1.00 x 106 | pH 3; Tymheredd: 25 °C | (1) ACD |
| Ffactor Biogrynodiad | 1.00 x 106 | pH 4; Tymheredd: 25 °C | (1) ACD |
| Ffactor Biogrynodiad | 1.00 x 106 | pH 5; Tymheredd: 25 °C | (1) ACD |
| Ffactor Biogrynodiad | 1.00 x 106 | pH 6; Tymheredd: 25 °C | (1) ACD |
| Ffactor Biogrynodiad | 1.00 x 106 | pH 7; Tymheredd: 25 °C | (1) ACD |
| Ffactor Biogrynodiad | 1.00 x 106 | pH 8; Tymheredd: 25 °C | (1) ACD |
| Ffactor Biogrynodiad | 1.00 x 106 | pH 9; Tymheredd: 25 °C | (1) ACD |
| Ffactor Biogrynodiad | 1.00 x 106 | pH 10; Tymheredd: 25 °C | (1) ACD |
(1) Wedi'i gyfrifo gan ddefnyddio Meddalwedd Advanced Chemistry Development (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 Màs | 4.7 x 10-6 g/L | Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 4.7 x 10-6 g/L | pH 1; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 4.7 x 10-6 g/L | pH 2; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 4.7 x 10-6 g/L | pH 3; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 4.7 x 10-6 g/L | pH 4; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 4.7 x 10-6 g/L | pH 5; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 4.7 x 10-6 g/L | pH 6; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 4.7 x 10-6 g/L | pH 7; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 4.7 x 10-6 g/L | pH 8; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 4.7 x 10-6 g/L | pH 9; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 4.7 x 10-6 g/L | pH 10; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 4.7 x 10-6 g/L | Dŵr Heb ei Gluffio pH 7.00; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Cynhenid Molar | 7.3 x 10-9 mol/L | Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 7.3 x 10-9 mol/L | pH 1; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 7.3 x 10-9 mol/L | pH 2; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 7.3 x 10-9 mol/L | pH 3; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 7.3 x 10-9 mol/L | pH 4; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 7.3 x 10-9 mol/L | pH 5; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 7.3 x 10-9 mol/L | pH 6; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 7.3 x 10-9 mol/L | pH 7; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 7.3 x 10-9 mol/L | pH 8; Tymheredd: 25 °C | (1) ACD |
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Hydoddedd Molar | 7.3 x 10-9 mol/L | pH 9; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 7.3 x 10-9 mol/L | pH 10; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 7.3 x 10-9 mol/L | Dŵr Heb ei Gluffio 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 Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Dwysedd
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Dwysedd | 1.237±0.06 g/cm3 | Tymheredd: 20 °C; Gwasgedd: 760 Torr | (1) ACD |
| Cyfaint Molar | 518.4±3.0 cm3/mol | Tymheredd: 20 °C; Gwasgedd: 760 Torr | (1) ACD |
(1) Wedi'i gyfrifo gan ddefnyddio Meddalwedd Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Bondiau Cylchdroi'n Rhydd | 12 | (1) ACD | |
| Derbynyddion H | 7 | (1) ACD | |
| Rhoddwyr H | 1 | (1) ACD | |
| Swm Rhoddwr/Derbynydd H | 8 | (1) ACD | |
| logP | 8.289±0.729 | Tymheredd: 25 °C | (1) ACD |
| Pwysau Moleciwlaidd | 641.75 |
(1) Wedi'i gyfrifo gan ddefnyddio Meddalwedd Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Cysylltiedig â Strwythur
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Arwynebedd Wyneb Pegynol | 77.5 A2 | (1) ACD | |
(1) Wedi'i gyfrifo gan ddefnyddio Meddalwedd Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Thermol
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Pwynt Berwi | 768.7±60.0 °C | Gwasg: 760 Torr | (1) ACD |
| Enthalpi 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 Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spectra sydd ar gael
1H NMR
13C NMR
![C30H28N2O7 6H-Ffuro[2′,3′:4,5]ocsasolo[3,2-a]pyrimidin-6-on, 2-[[bis(4-methoxy ffenyl)ffenylmethoxy]methyl]-2,3,3a,9a-tetrahydro-3-hydroxy-, (2R,3R,3aS,9aR)- (9CI, ACI)](https://cdn.globalso.com/nvchem/C30H28N2O7-6H-Furo-300x300.jpg)
![L-Ornithinamid, 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-Ffuro[2′,3′:4,5]ocsasolo[3,2-a]pyrimidin-6-on, 2-[[bis(4-methoxy ffenyl)ffenylmethoxy]methyl]-2,3,3a,9a-tetrahydro-3-hydroxy-7-methyl-, (2R,3R,3aS,9aR)- (9CI, ACI)](https://cdn.globalso.com/nvchem/C31H30N2O7-6H-Furo-300x300.jpg)
