Asid 1-Pyrrolidinecarboxylig, 4-hydroxy-2-(hydroxymethyl)-, ester 9H-fflworen-9-ylmethyl, (2S,4R)- (9CI, ACI) C20H21NO4
| Priodweddau Ffisegol Allweddol | Gwerth | Cyflwr |
| Pwysau Moleciwlaidd | 339.39 | - |
| Pwynt Berwi (Rhagfynegedig) | 549.8±40.0 °C | Gwasg: 760 Torr |
| Dwysedd (Rhagfynegedig) | 1.318±0.06 g/cm3 | Tymheredd: 20 °C; Gwasgedd: 760 Torr |
| pKa (Rhagfynegedig) | 14.53±0.40 | Tymheredd Mwyaf Asidig: 25 °C |
GWÊNAU Canonaidd O=C(OCC1C=2C=CC=CC2C=3C=CC=CC31)N4CC(O)CC4CO
GWÊNAU Isomerig C(OC(=O)N1[C@H](CO)C[C@@H](O)C1)C2C=3C(C=4C2=CC=CC4)=CC=CC3
InChI
InChI=1S/C20H21NO4/c22-11-13-9-14(23)10-21(13)20(24)25-12-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-8,13-14,19,22-23H,9-12
H2/t13-,14+/m0/s1
Allwedd InChI
SCXXARDQPGZAJU-UONOGXRCSA-N
3 Enw Arall ar gyfer y Sylwedd hwn
Asid 1-Pyrrolidinecarboxylig, 4-hydroxy-2-(hydroxymethyl)-, ester 9H-fluoren-9-ylmethyl, (2S-trans)- (ZCI); 9H-Flworen-9-ylmethyl (2S, 4R)-4-hydroxy-2-(hydroxymethyl)-1-pyrrolidinecarboxylate (ACI); (3R,5S)-N-Fmoc-3-Hydroxypyrrolidine-5-Methanol
| Eiddo sydd ar gael |
| Biolegol |
| Cemegol |
| Dwysedd |
| Lipinski |
| Cysylltiedig â Strwythur |
| Thermol |
Biolegol
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Ffactor Biogrynodiad | 49.6 | pH 1; Tymheredd: 25 °C | (1) ACD |
| Ffactor Biogrynodiad | 49.6 | pH 2; Tymheredd: 25 °C | (1) ACD |
| Ffactor Biogrynodiad | 49.6 | pH 3; Tymheredd: 25 °C | (1) ACD |
| Ffactor Biogrynodiad | 49.6 | pH 4; Tymheredd: 25 °C | (1) ACD |
| Ffactor Biogrynodiad | 49.6 | pH 5; Tymheredd: 25 °C | (1) ACD |
| Ffactor Biogrynodiad | 49.6 | pH 6; Tymheredd: 25 °C | (1) ACD |
| Ffactor Biogrynodiad | 49.6 | pH 7; Tymheredd: 25 °C | (1) ACD |
| Ffactor Biogrynodiad | 49.6 | pH 8; Tymheredd: 25 °C | (1) ACD |
| Ffactor Biogrynodiad | 49.6 | pH 9; Tymheredd: 25 °C | (1) ACD |
| Ffactor Biogrynodiad | 49.6 | 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 | 569 | pH 1; Tymheredd: 25 °C | (1) ACD |
| Koc | 569 | pH 2; Tymheredd: 25 °C | (1) ACD |
| Koc | 569 | pH 3; Tymheredd: 25 °C | (1) ACD |
| Koc | 569 | pH 4; Tymheredd: 25 °C | (1) ACD |
| Koc | 569 | pH 5; Tymheredd: 25 °C | (1) ACD |
| Koc | 569 | pH 6; Tymheredd: 25 °C | (1) ACD |
| Koc | 569 | pH 7; Tymheredd: 25 °C | (1) ACD |
| Koc | 569 | pH 8; Tymheredd: 25 °C | (1) ACD |
| Koc | 569 | pH 9; Tymheredd: 25 °C | (1) ACD |
| Koc | 569 | pH 10; Tymheredd: 25 °C | (1) ACD |
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| logD | 2.53 | pH 1; Tymheredd: 25 °C | (1) ACD |
| logD | 2.53 | pH 2; Tymheredd: 25 °C | (1) ACD |
| logD | 2.53 | pH 3; Tymheredd: 25 °C | (1) ACD |
| logD | 2.53 | pH 4; Tymheredd: 25 °C | (1) ACD |
| logD | 2.53 | pH 5; Tymheredd: 25 °C | (1) ACD |
| logD | 2.53 | pH 6; Tymheredd: 25 °C | (1) ACD |
| logD | 2.53 | pH 7; Tymheredd: 25 °C | (1) ACD |
| logD | 2.53 | pH 8; Tymheredd: 25 °C | (1) ACD |
| logD | 2.53 | pH 9; Tymheredd: 25 °C | (1) ACD |
| logD | 2.53 | pH 10; Tymheredd: 25 °C | (1) ACD |
| logP | 2.534±0.636 | Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Cynhenid Màs | 0.078 g/L | Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 0.078 g/L | pH 1; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 0.078 g/L | pH 2; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 0.078 g/L | pH 3; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 0.078 g/L | pH 4; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 0.078 g/L | pH 5; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 0.078 g/L | pH 6; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 0.078 g/L | pH 7; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 0.078 g/L | pH 8; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 0.078 g/L | pH 9; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 0.078 g/L | pH 10; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 0.078 g/L | Dŵr Heb ei Gluffio pH 7.00; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Cynhenid Molar | 2.3 x 10-4 mol/L | Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 2.3 x 10-4 mol/L | pH 1; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 2.3 x 10-4 mol/L | pH 2; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 2.3 x 10-4 mol/L | pH 3; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 2.3 x 10-4 mol/L | pH 4; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 2.3 x 10-4 mol/L | pH 5; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 2.3 x 10-4 mol/L | pH 6; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 2.3 x 10-4 mol/L | pH 7; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 2.3 x 10-4 mol/L | pH 8; Tymheredd: 25 °C | (1) ACD |
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Hydoddedd Molar | 2.3 x 10-4 mol/L | pH 9; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 2.3 x 10-4 mol/L | pH 10; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 2.3 x 10-4 mol/L | Dŵr Heb ei Gluffio pH 7.00; Tymheredd: 25 °C | (1) ACD |
| Pwysau Moleciwlaidd | 339.39 | ||
| pKa | 14.53±0.40 | Tymheredd Mwyaf Asidig: 25 °C | (1) ACD |
| pKa | -3.10±0.60 | Tymheredd Mwyaf Sylfaenol: 25 °C | (1) ACD |
| Pwysedd Anwedd | 6.35 x 10-13 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 | 1.318±0.06 g/cm3 | Tymheredd: 20 °C; Gwasgedd: 760 Torr | (1) ACD |
| Cyfaint Molar | 257.3±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 | 6 | (1) ACD | |
| Derbynyddion H | 5 | (1) ACD | |
| Rhoddwyr H | 2 | (1) ACD | |
| Swm Rhoddwr/Derbynydd H | 7 | (1) ACD | |
| logP | 2.534±0.636 | Tymheredd: 25 °C | (1) ACD |
| Pwysau Moleciwlaidd | 339.39 |
(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 | 70.0 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 | 549.8±40.0 °C | Gwasg: 760 Torr | (1) ACD |
| Enthalpi Anweddu | 87.32±3.0 kJ/mol | Gwasg: 760 Torr | (1) ACD |
| Pwynt Fflach | 286.3±27.3 °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
![C36H39N5O8 Guanosin, 5′-O-[bis(4-methoxyffenyl)ffenylmethyl]-2′-O-methyl-N-(2-methyl-1-ocsopropyl)- (9CI, ACI)](https://cdn.globalso.com/nvchem/C36H39N5O8-Guanosine-300x300.jpg)
![C39H46FN4O8P Wridin, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -deoxy-2′ – fluoro-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidite] (ACI)](https://cdn.globalso.com/nvchem/C39H46FN4O8P-Uridine-300x300.png)
![C33H39N5O6 L-Ornithinamid, N-[(9H-fflworen-9-ylmethoxy)carbonyl]-L-valyl-N5-(aminocarbonyl)-N-[4-(hydroxymethyl)phenyl]- (9CI, ACI)](https://cdn.globalso.com/nvchem/C33H39N5O6-L-Ornithinamide-300x300.jpg)
![C38H49NO7 1- asid pyrrolidinedodecanoic, 2- [[bis(4-methoxyphenyl)phenylmethyl ethoxy]methyl]-4-hydroxy-λ-oxo-, (2S,4R)- (ACI)](https://cdn.globalso.com/nvchem/C38H49NO7-1-Pyrrolidinedodecanoic-acid-300x300.jpg)
![C30H30N2O8 Wridin, 5′-O-[bis(4-methoxyffenyl)ffenylmethyl]- (9CI, ACI)](https://cdn.globalso.com/nvchem/C30H30N2O8-Uridine-300x300.jpg)
![C50H60N5O10P Cytidin, N-bensoyl-5′ -O- [bis(4-methoxyffenyl)ffenylmethyl]-2′ -O- (2-methoxyethyl)- 5-methyl-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl) ffosfforamidit] (ACI)](https://cdn.globalso.com/nvchem/C50H60N5O10P-Cytidine-300x300.png)