C20H21NO4 1-Pyrrolidinecarboxylic acid, 4-hydroxy-2- (hydroxymethyl) -, 9H- fluoren-9-ylmethyl ester, (2S,4R) - (9CI, ACI)
| Mabuɗin Abubuwan Jiki | Daraja | Sharadi |
| Nauyin Kwayoyin Halitta | 339.39 | - |
| Wurin tafasa (An annabta) | 549.8±40.0 °C | Latsa: 760 Torr |
| Girma (An annabta) | 1.318± 0.06 g/cm3 | Zazzabi: 20 ° C; Latsa: 760 Torr |
| pKa (An annabta) | 14.53± 0.40 | Mafi yawan zafin jiki: 25 ° C |
Canonical SMILES 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
InChi Key
SCXXARDQPGZAJU-UONOGXRCSA-N
3 Wasu Sunaye na wannan Abu
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
| Properties akwai |
| Halittu |
| Chemical |
| Yawan yawa |
| Lipinski |
| Tsarin Yanayi |
| Thermal |
Halittu
| Dukiya | Daraja | Sharadi | Source |
| Factor na Bioconcentration | 49.6 | pH da 1; Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 49.6 | pH da 2; Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 49.6 | pH da 3; Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 49.6 | pH da 4; Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 49.6 | pH da 5; Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 49.6 | pH da 6; Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 49.6 | pH da 7; Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 49.6 | pH da 8; Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 49.6 | pH da 9; Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 49.6 | pH 10; Zazzabi: 25 ° C | (1) ACD |
(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Chemical
| Dukiya | Daraja | Sharadi | Source |
| Koc | 569 | pH da 1; Zazzabi: 25 ° C | (1) ACD |
| Koc | 569 | pH da 2; Zazzabi: 25 ° C | (1) ACD |
| Koc | 569 | pH da 3; Zazzabi: 25 ° C | (1) ACD |
| Koc | 569 | pH da 4; Zazzabi: 25 ° C | (1) ACD |
| Koc | 569 | pH da 5; Zazzabi: 25 ° C | (1) ACD |
| Koc | 569 | pH da 6; Zazzabi: 25 ° C | (1) ACD |
| Koc | 569 | pH da 7; Zazzabi: 25 ° C | (1) ACD |
| Koc | 569 | pH da 8; Zazzabi: 25 ° C | (1) ACD |
| Koc | 569 | pH da 9; Zazzabi: 25 ° C | (1) ACD |
| Koc | 569 | pH 10; Zazzabi: 25 ° C | (1) ACD |
| Dukiya | Daraja | Sharadi | Source |
| logD | 2.53 | pH da 1; Zazzabi: 25 ° C | (1) ACD |
| logD | 2.53 | pH da 2; Zazzabi: 25 ° C | (1) ACD |
| logD | 2.53 | pH da 3; Zazzabi: 25 ° C | (1) ACD |
| logD | 2.53 | pH da 4; Zazzabi: 25 ° C | (1) ACD |
| logD | 2.53 | pH da 5; Zazzabi: 25 ° C | (1) ACD |
| logD | 2.53 | pH da 6; Zazzabi: 25 ° C | (1) ACD |
| logD | 2.53 | pH da 7; Zazzabi: 25 ° C | (1) ACD |
| logD | 2.53 | pH da 8; Zazzabi: 25 ° C | (1) ACD |
| logD | 2.53 | pH da 9; Zazzabi: 25 ° C | (1) ACD |
| logD | 2.53 | pH 10; Zazzabi: 25 ° C | (1) ACD |
| logP | 2.534± 0.636 | Zazzabi: 25 ° C | (1) ACD |
| Mass Intrinsic Solubility | 0.078 g/L | Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 0.078 g/L | pH da 1; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 0.078 g/L | pH da 2; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 0.078 g/L | pH da 3; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 0.078 g/L | pH da 4; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 0.078 g/L | pH da 5; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 0.078 g/L | pH da 6; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 0.078 g/L | pH da 7; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 0.078 g/L | pH da 8; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 0.078 g/L | pH da 9; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 0.078 g/L | pH 10; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 0.078 g/L | Ruwan da ba a buƙata ba pH 7.00; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Ciki na Molar | 2.3 x 10-4 mol/L | Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 2.3 x 10-4 mol/L | pH da 1; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 2.3 x 10-4 mol/L | pH da 2; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 2.3 x 10-4 mol/L | pH da 3; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 2.3 x 10-4 mol/L | pH da 4; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 2.3 x 10-4 mol/L | pH da 5; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 2.3 x 10-4 mol/L | pH da 6; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 2.3 x 10-4 mol/L | pH da 7; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 2.3 x 10-4 mol/L | pH da 8; Zazzabi: 25 ° C | (1) ACD |
| Dukiya | Daraja | Sharadi | Source |
| Solubility na Molar | 2.3 x 10-4 mol/L | pH da 9; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 2.3 x 10-4 mol/L | pH 10; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 2.3 x 10-4 mol/L | Ruwan da ba a buƙata ba pH 7.00; Zazzabi: 25 ° C | (1) ACD |
| Nauyin Kwayoyin Halitta | 339.39 | ||
| pKa | 14.53± 0.40 | Mafi yawan zafin jiki: 25 ° C | (1) ACD |
| pKa | -3.10±0.60 | Mafi Asalin Zazzabi: 25 ° C | (1) ACD |
| Ruwan Ruwa | 6.35 x 10-13 Torr | Zazzabi: 25 ° C | (1) ACD |
(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Yawan yawa
| Dukiya | Daraja | Sharadi | Source |
| Yawan yawa | 1.318± 0.06 g/cm3 | Zazzabi: 20 ° C; Latsa: 760 Torr | (1) ACD |
| Ƙarar Molar | 257.3± 3.0 cm3/mol | Zazzabi: 20 ° C; Latsa: 760 Torr | (1) ACD |
(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Dukiya | Daraja | Sharadi | Source |
| Ƙimar Rarraba Kyauta | 6 | (1) ACD | |
| H Masu karɓa | 5 | (1) ACD | |
| H Masu Ba da taimako | 2 | (1) ACD | |
| H Donor/Acceptor Sum | 7 | (1) ACD | |
| logP | 2.534± 0.636 | Zazzabi: 25 ° C | (1) ACD |
| Nauyin Kwayoyin Halitta | 339.39 |
(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Tsarin Yanayi
| Dukiya | Daraja | Sharadi | Source |
| Wuri Mai Girma | 70.0 A2 | (1) ACD | |
(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Thermal
| Dukiya | Daraja | Sharadi | Source |
| Wurin Tafasa | 549.8±40.0 °C | Latsa: 760 Torr | (1) ACD |
| Enthalpy na Vaporization | 87.32± 3.0 kJ/mol | Latsa: 760 Torr | (1) ACD |
| Wurin Flash | 286.3±27.3 °C | (1) ACD |
(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra akwai
1H NMR
13C NMR
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