C20H21NO4 1-Pyrrolidinecarboxylic acid, 4-hydroxy-2-(hydroxymethyl)-, 9H- fluoren-9-ylmethyl ester, (2S,4R)- (9CI, ACI)
| Qalabka Jidhka ee Furaha ah | Qiimaha | Xaalad |
| Miisaanka Molecular | 339.39 | - |
| Barta karkarinta (La saadaaliyay) | 549.8±40.0C | Riix: 760 Torr |
| Cufnaanta (La saadaaliyay) | 1.318± 0.06 g/cm3 | Heerkulka: 20 °C;Riix: 760 Torr |
| pKa (La saadaaliyay) | 14.53±0.40 | Heerkulka ugu acidic badan: 25 °C |
Dhoola caddaynta O=C(OCC1C=2C=CC=CC2C=3C=CC=CC31)N4CC(O)CC4CO
Isomeric 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
Furaha InChi
SCXXARDQPGZAJU-UONOGXRCSA-N
3 Magacyo kale oo Walaxdan ah
1-Pyrrolidinecarboxylic acid, 4-hydroxy-2- (hydroxymethyl) -, 9H-fluoren-9-ylmethyl ester, (2S-trans) - (ZCI);9H-Fluoren-9-ylmethyl (2S, 4R) -4-hydroxy-2- (hydroxymethyl) -1-pyrrolidinecarboxylate (ACI);(3R,5S)-N-Fmoc-3-Hydroxypyrrolidine-5-Methanol
| Guryaha la heli karo |
| Nafley |
| Kiimiko |
| Cufnaanta |
| Lipinski |
| Qaab-dhismeedka La Xiriira |
| kulaylka |
Nafley
| Hanti | Qiimaha | Xaalad | Xigasho |
| Qodobka bioconcentration | 49.6 | pH 1;Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 49.6 | pH 2;Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 49.6 | pH 3;Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 49.6 | pH 4;Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 49.6 | pH 5;Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 49.6 | pH 6;Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 49.6 | pH 7;Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 49.6 | pH 8;Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 49.6 | pH 9;Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 49.6 | pH 10;Heerkulka: 25 °C | (1) ACD |
(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Kiimiko
| Hanti | Qiimaha | Xaalad | Xigasho |
| Koc | 569 | pH 1;Heerkulka: 25 °C | (1) ACD |
| Koc | 569 | pH 2;Heerkulka: 25 °C | (1) ACD |
| Koc | 569 | pH 3;Heerkulka: 25 °C | (1) ACD |
| Koc | 569 | pH 4;Heerkulka: 25 °C | (1) ACD |
| Koc | 569 | pH 5;Heerkulka: 25 °C | (1) ACD |
| Koc | 569 | pH 6;Heerkulka: 25 °C | (1) ACD |
| Koc | 569 | pH 7;Heerkulka: 25 °C | (1) ACD |
| Koc | 569 | pH 8;Heerkulka: 25 °C | (1) ACD |
| Koc | 569 | pH 9;Heerkulka: 25 °C | (1) ACD |
| Koc | 569 | pH 10;Heerkulka: 25 °C | (1) ACD |
| Hanti | Qiimaha | Xaalad | Xigasho |
| logD | 2.53 | pH 1;Heerkulka: 25 °C | (1) ACD |
| logD | 2.53 | pH 2;Heerkulka: 25 °C | (1) ACD |
| logD | 2.53 | pH 3;Heerkulka: 25 °C | (1) ACD |
| logD | 2.53 | pH 4;Heerkulka: 25 °C | (1) ACD |
| logD | 2.53 | pH 5;Heerkulka: 25 °C | (1) ACD |
| logD | 2.53 | pH 6;Heerkulka: 25 °C | (1) ACD |
| logD | 2.53 | pH 7;Heerkulka: 25 °C | (1) ACD |
| logD | 2.53 | pH 8;Heerkulka: 25 °C | (1) ACD |
| logD | 2.53 | pH 9;Heerkulka: 25 °C | (1) ACD |
| logD | 2.53 | pH 10;Heerkulka: 25 °C | (1) ACD |
| logP | 2.534±0.636 | Heerkulka: 25 °C | (1) ACD |
| Solubility Mass Intrinsic | 0.078 g/L | Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 0.078 g/L | pH 1;Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 0.078 g/L | pH 2;Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 0.078 g/L | pH 3;Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 0.078 g/L | pH 4;Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 0.078 g/L | pH 5;Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 0.078 g/L | pH 6;Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 0.078 g/L | pH 7;Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 0.078 g/L | pH 8;Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 0.078 g/L | pH 9;Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 0.078 g/L | pH 10;Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 0.078 g/L | Biyaha aan la daboolin pH 7.00;Heerkulka: 25 °C | (1) ACD |
| Solubility Intrinsic Molar | 2.3 x 10-4 mol/L | Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 2.3 x 10-4 mol/L | pH 1;Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 2.3 x 10-4 mol/L | pH 2;Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 2.3 x 10-4 mol/L | pH 3;Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 2.3 x 10-4 mol/L | pH 4;Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 2.3 x 10-4 mol/L | pH 5;Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 2.3 x 10-4 mol/L | pH 6;Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 2.3 x 10-4 mol/L | pH 7;Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 2.3 x 10-4 mol/L | pH 8;Heerkulka: 25 °C | (1) ACD |
| Hanti | Qiimaha | Xaalad | Xigasho |
| Solubility Molar | 2.3 x 10-4 mol/L | pH 9;Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 2.3 x 10-4 mol/L | pH 10;Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 2.3 x 10-4 mol/L | Biyaha aan la daboolin pH 7.00;Heerkulka: 25 °C | (1) ACD |
| Miisaanka Molecular | 339.39 | ||
| pKa | 14.53±0.40 | Heerkulka ugu acidic badan: 25 °C | (1) ACD |
| pKa | -3.10±0.60 | Heerkulka ugu badan ee aasaasiga ah: 25 °C | (1) ACD |
| Cadaadis uumiga | 6.35 x 10-13 Torr | Heerkulka: 25 °C | (1) ACD |
(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Cufnaanta
| Hanti | Qiimaha | Xaalad | Xigasho |
| Cufnaanta | 1.318± 0.06 g/cm3 | Heerkulka: 20 °C;Riix: 760 Torr | (1) ACD |
| Mugga Molar | 257.3 ± 3.0 cm3 / mol | Heerkulka: 20 °C;Riix: 760 Torr | (1) ACD |
(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Hanti | Qiimaha | Xaalad | Xigasho |
| Boondhigyo si xor ah loo wareejin karo | 6 | (1) ACD | |
| H Aqbalayaasha | 5 | (1) ACD | |
| H Deeq-bixiyayaasha | 2 | (1) ACD | |
| Ku-deeqaha/Aqbalka Wadarta | 7 | (1) ACD | |
| logP | 2.534±0.636 | Heerkulka: 25 °C | (1) ACD |
| Miisaanka Molecular | 339.39 |
(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Qaab-dhismeedka La Xiriira
| Hanti | Qiimaha | Xaalad | Xigasho |
| Aagga dusha sare ee Polar | 70.0 A2 | (1) ACD | |
(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
kulaylka
| Hanti | Qiimaha | Xaalad | Xigasho |
| Barta Karsan | 549.8±40.0C | Riix: 760 Torr | (1) ACD |
| Enthalpy of uumiga | 87.32± 3.0 kJ/mol | Riix: 760 Torr | (1) ACD |
| Barta Fiishka | 286.3 ± 27.3 °C | (1) ACD |
(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra waa la heli karaa
1H NMR
13C NMR
![C31H30N2O7 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-one, 2-[[bis(4-methoxy phenyl) phenylmethoxy]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)
![C44H49N5O7Si Adenosine, N-benzoyl-5′-O-[bis(4-methoxyphenyl) phenylmethyl]-2′- O-[(1,1-dimethylethyl) dimethylsilyl]- (9CI, ACI)](https://cdn.globalso.com/nvchem/C44H49N5O7Si-Adenosine-300x300.jpg)
![C50H58N7O9P Adenosine, N-benzoyl-5′-O- [bis (4-methoxyphenyl) phenylmethyl]-2′- O- (2-methoxyethyl) -, 3′- [2-cyanoethyl N, N-bis (1-methylethyl). phosphoramidite] (ACI)](https://cdn.globalso.com/nvchem/C50H58N7O9P-Adenosine-300x300.png)
![L-Ornithinamide, L-valyl-N5-(aminocarbonyl) -N- [4- (hydroxymethyl) phenyl] - (9CI, ACI) H335, H319, H315, H302](https://cdn.globalso.com/nvchem/L-Ornithinamide-300x300.jpg)
![C20H31NO5 Heptanoic acid, 3-hydroxy-5-methyl-4-[[(phenylmethoxy) karbonyl] amino]-, 1,1-dimethylethyl ester, [3R-(3R*,4S*,5S*)]- (9CI) H301](https://cdn.globalso.com/nvchem/C20H31NO5-Heptanoic-acid-300x300.jpg)
![C21H21N3O6 Thymidine, α - [(1-naphthalenylmethyl) amino] - α-oxo- (ACI)](https://cdn.globalso.com/nvchem/C21H21N3O6-Thymidine-300x300.png)