C20H21NO4 1-Pyrrolidincarboxylsäure, 4-Hydroxy-2-(Hydroxymethyl)-, 9H-Fluoren-9-ylmethylester, (2S,4R)- (9CI, ACI)
| Schlësselphysikalesch Eegeschaften | Wäert | Zoustand |
| Molekulargewiicht | 339,39 | - |
| Kachpunkt (virausgesot) | 549,8±40,0 °C | Dréck: 760 Torr |
| Dicht (virausgesot) | 1,318 ± 0,06 g/cm3 | Temperatur: 20 °C; Drock: 760 Torr |
| pKa (Virausbezunnen) | 14,53±0,40 | Säurege Temperatur: 25 °C |
Kanonesch Laachen O=C(OCC1C=2C=CC=CC2C=3C=CC=CC31)N4CC(O)CC4CO
Isomeresch SMILES 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
InChI Schlëssel
SCXXARDQPGZAJU-UONOGXRCSA-N
3 Aner Nimm fir dës Substanz
1-Pyrrolidincarboxylsäure, 4-Hydroxy-2-(Hydroxymethyl)-, 9H-Fluoren-9-ylmethylester, (2S-trans)- (ZCI); 9H-Fluoren-9-ylmethyl (2S,4R)-4-Hydroxy-2-(Hydroxymethyl)-1-pyrrolidincarboxylat (ACI); (3R,5S)-N-Fmoc-3-Hydroxypyrrolidin-5-Methanol
| Verfügbar Immobilien |
| Biologesch |
| Chemesch |
| Dicht |
| Lipinski |
| Strukturbezunnen |
| Thermesch |
Biologesch
| Immobilie | Wäert | Zoustand | Quell |
| Biokonzentratiounsfaktor | 49,6 | pH 1; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 49,6 | pH 2; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 49,6 | pH 3; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 49,6 | pH 4; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 49,6 | pH 5; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 49,6 | pH 6; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 49,6 | pH 7; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 49,6 | pH 8; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 49,6 | pH 9; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 49,6 | pH 10; Temperatur: 25 °C | (1) ACD |
(1) Berechent mat der Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Chemesch
| Immobilie | Wäert | Zoustand | Quell |
| Koc | 569 | pH 1; Temperatur: 25 °C | (1) ACD |
| Koc | 569 | pH 2; Temperatur: 25 °C | (1) ACD |
| Koc | 569 | pH 3; Temperatur: 25 °C | (1) ACD |
| Koc | 569 | pH 4; Temperatur: 25 °C | (1) ACD |
| Koc | 569 | pH 5; Temperatur: 25 °C | (1) ACD |
| Koc | 569 | pH 6; Temperatur: 25 °C | (1) ACD |
| Koc | 569 | pH 7; Temperatur: 25 °C | (1) ACD |
| Koc | 569 | pH 8; Temperatur: 25 °C | (1) ACD |
| Koc | 569 | pH 9; Temperatur: 25 °C | (1) ACD |
| Koc | 569 | pH 10; Temperatur: 25 °C | (1) ACD |
| Immobilie | Wäert | Zoustand | Quell |
| logD | 2,53 | pH 1; Temperatur: 25 °C | (1) ACD |
| logD | 2,53 | pH 2; Temperatur: 25 °C | (1) ACD |
| logD | 2,53 | pH 3; Temperatur: 25 °C | (1) ACD |
| logD | 2,53 | pH 4; Temperatur: 25 °C | (1) ACD |
| logD | 2,53 | pH 5; Temperatur: 25 °C | (1) ACD |
| logD | 2,53 | pH 6; Temperatur: 25 °C | (1) ACD |
| logD | 2,53 | pH 7; Temperatur: 25 °C | (1) ACD |
| logD | 2,53 | pH 8; Temperatur: 25 °C | (1) ACD |
| logD | 2,53 | pH 9; Temperatur: 25 °C | (1) ACD |
| logD | 2,53 | pH 10; Temperatur: 25 °C | (1) ACD |
| logP | 2,534±0,636 | Temperatur: 25 °C | (1) ACD |
| Masse intrinsesch Léislechkeet | 0,078 g/L | Temperatur: 25 °C | (1) ACD |
| Masselöslechkeet | 0,078 g/L | pH 1; Temperatur: 25 °C | (1) ACD |
| Masselöslechkeet | 0,078 g/L | pH 2; Temperatur: 25 °C | (1) ACD |
| Masselöslechkeet | 0,078 g/L | pH 3; Temperatur: 25 °C | (1) ACD |
| Masselöslechkeet | 0,078 g/L | pH 4; Temperatur: 25 °C | (1) ACD |
| Masselöslechkeet | 0,078 g/L | pH 5; Temperatur: 25 °C | (1) ACD |
| Masselöslechkeet | 0,078 g/L | pH 6; Temperatur: 25 °C | (1) ACD |
| Masselöslechkeet | 0,078 g/L | pH 7; Temperatur: 25 °C | (1) ACD |
| Masselöslechkeet | 0,078 g/L | pH 8; Temperatur: 25 °C | (1) ACD |
| Masselöslechkeet | 0,078 g/L | pH 9; Temperatur: 25 °C | (1) ACD |
| Masselöslechkeet | 0,078 g/L | pH 10; Temperatur: 25 °C | (1) ACD |
| Masselöslechkeet | 0,078 g/L | Ongepuffert Waasser pH 7,00; Temperatur: 25 °C | (1) ACD |
| Molar intrinsesch Léislechkeet | 2,3 x 10⁻⁴ mol/L | Temperatur: 25 °C | (1) ACD |
| Molar Löslechkeet | 2,3 x 10⁻⁴ mol/L | pH 1; Temperatur: 25 °C | (1) ACD |
| Molar Löslechkeet | 2,3 x 10⁻⁴ mol/L | pH 2; Temperatur: 25 °C | (1) ACD |
| Molar Löslechkeet | 2,3 x 10⁻⁴ mol/L | pH 3; Temperatur: 25 °C | (1) ACD |
| Molar Löslechkeet | 2,3 x 10⁻⁴ mol/L | pH 4; Temperatur: 25 °C | (1) ACD |
| Molar Löslechkeet | 2,3 x 10⁻⁴ mol/L | pH 5; Temperatur: 25 °C | (1) ACD |
| Molar Löslechkeet | 2,3 x 10⁻⁴ mol/L | pH 6; Temperatur: 25 °C | (1) ACD |
| Molar Löslechkeet | 2,3 x 10⁻⁴ mol/L | pH 7; Temperatur: 25 °C | (1) ACD |
| Molar Löslechkeet | 2,3 x 10⁻⁴ mol/L | pH 8; Temperatur: 25 °C | (1) ACD |
| Immobilie | Wäert | Zoustand | Quell |
| Molar Löslechkeet | 2,3 x 10⁻⁴ mol/L | pH 9; Temperatur: 25 °C | (1) ACD |
| Molar Löslechkeet | 2,3 x 10⁻⁴ mol/L | pH 10; Temperatur: 25 °C | (1) ACD |
| Molar Löslechkeet | 2,3 x 10⁻⁴ mol/L | Ongepuffert Waasser pH 7,00; Temperatur: 25 °C | (1) ACD |
| Molekulargewiicht | 339,39 | ||
| pKa | 14,53±0,40 | Säurege Temperatur: 25 °C | (1) ACD |
| pKa | -3,10±0,60 | Basis Temperatur: 25 °C | (1) ACD |
| Dampdrock | 6,35 x 10⁻¹⁵ Torr | Temperatur: 25 °C | (1) ACD |
(1) Berechent mat der Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Dicht
| Immobilie | Wäert | Zoustand | Quell |
| Dicht | 1,318 ± 0,06 g/cm3 | Temperatur: 20 °C; Drock: 760 Torr | (1) ACD |
| Molare Volumen | 257,3±3,0 cm3/mol | Temperatur: 20 °C; Drock: 760 Torr | (1) ACD |
(1) Berechent mat der Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Immobilie | Wäert | Zoustand | Quell |
| Fräi rotéierbar Bindungen | 6 | (1) ACD | |
| H-Akzeptoren | 5 | (1) ACD | |
| H Spender | 2 | (1) ACD | |
| H Donateur/Akzeptant Zomm | 7 | (1) ACD | |
| logP | 2,534±0,636 | Temperatur: 25 °C | (1) ACD |
| Molekulargewiicht | 339,39 |
(1) Berechent mat der Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Strukturbezunnen
| Immobilie | Wäert | Zoustand | Quell |
| Polarfläche | 70.0 A2 | (1) ACD | |
(1) Berechent mat der Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Thermesch
| Immobilie | Wäert | Zoustand | Quell |
| Kachpunkt | 549,8±40,0 °C | Dréck: 760 Torr | (1) ACD |
| Enthalpie vun der Verdampfung | 87,32±3,0 kJ/mol | Dréck: 760 Torr | (1) ACD |
| Flammpunkt | 286,3±27,3 °C | (1) ACD |
(1) Berechent mat der Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spektren verfügbar
1H NMR
13C-NMR
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![C33H39N5O6 L-Ornithinamid, N-[(9H-Fluoren-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-Pyrrolidindodecansäure, 2-[[bis(4-methoxyphenyl)phenylmethylethoxy]methyl]-4-hydroxy-λ-oxo-, (2S,4R)- (ACI)](https://cdn.globalso.com/nvchem/C38H49NO7-1-Pyrrolidinedodecanoic-acid-300x300.jpg)
![C30H30N2O8 Uridin, 5'-O-[bis(4-methoxyphenyl)phenylmethyl]- (9CI, ACI)](https://cdn.globalso.com/nvchem/C30H30N2O8-Uridine-300x300.jpg)
![C50H60N5O10P Cytidin, N-Benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-(2-methoxyethyl)-5-methyl-, 3′-[2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidit] (ACI)](https://cdn.globalso.com/nvchem/C50H60N5O10P-Cytidine-300x300.png)