C20H21NO4 1-Pyrrolidinecarboxylic acid, 4-hydroxy-2-(hydroxymethyl)-, 9H-fluoren-9-ylmethyl ester, (2S,4R)- (9CI, ACI)
| Taybetmendiyên fizîkî yên sereke | Giranî | Rewş |
| Giraniya molekulî | 339.39 | - |
| Xala kelandinê (pêşbînîkirî) | 549,8±40,0 °C | Çapemenî: 760 Torr |
| Density (Pêşbîn kirin) | 1,318±0,06 g/cm3 | Germ: 20 °C; Çapemenî: 760 Torr |
| pKa (Pêşbînî kirin) | 14,53±0,40 | Germahiya herî asîdî: 25 °C |
SMILES kanonîkî O=C(OCC1C=2C=CC=CC2C=3C=CC=CC31)N4CC(O)CC4CO
PÊŞÎNÊN îzomerî 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 Navên din ên vê madeyê
1-Pyrrolidinecarboxylic acid, 4-hydroxy-2-(hydroxymethyl)-, 9H-fluoren-9-ylmethyl ester, (2S-trans)- (ZCI); 9H-Fluoren-9-îlmetîl (2S, 4R)-4-hîdroksî-2-(hîdroksîmetîl)-1-pirrolîdînkarboksîlate (ACI); (3R,5S)-N-Fmoc-3-Hydroxypyrrolidine-5-Methanol
| Taybetmendiyên berdest |
| Biyolojîkî |
| Şîmyakî |
| Density |
| Lipinski |
| Structure Related |
| Termal |
Biyolojîkî
| Mal | Giranî | Rewş | Kanî |
| Faktora Bioconcentration | 49.6 | pH 1; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 49.6 | pH 2; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 49.6 | pH 3; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 49.6 | pH 4; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 49.6 | pH 5; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 49.6 | pH 6; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 49.6 | pH 7; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 49.6 | pH 8; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 49.6 | pH 9; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 49.6 | pH 10; Germ: 25 °C | (1) ACD |
(1) Bi karanîna Nermalava Pêşveçûna Kîmyaya Pêşkeftî (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs) tê hesab kirin
Şîmyakî
| Mal | Giranî | Rewş | Kanî |
| Koc | 569 | pH 1; Germ: 25 °C | (1) ACD |
| Koc | 569 | pH 2; Germ: 25 °C | (1) ACD |
| Koc | 569 | pH 3; Germ: 25 °C | (1) ACD |
| Koc | 569 | pH 4; Germ: 25 °C | (1) ACD |
| Koc | 569 | pH 5; Germ: 25 °C | (1) ACD |
| Koc | 569 | pH 6; Germ: 25 °C | (1) ACD |
| Koc | 569 | pH 7; Germ: 25 °C | (1) ACD |
| Koc | 569 | pH 8; Germ: 25 °C | (1) ACD |
| Koc | 569 | pH 9; Germ: 25 °C | (1) ACD |
| Koc | 569 | pH 10; Germ: 25 °C | (1) ACD |
| Mal | Giranî | Rewş | Kanî |
| logD | 2.53 | pH 1; Germ: 25 °C | (1) ACD |
| logD | 2.53 | pH 2; Germ: 25 °C | (1) ACD |
| logD | 2.53 | pH 3; Germ: 25 °C | (1) ACD |
| logD | 2.53 | pH 4; Germ: 25 °C | (1) ACD |
| logD | 2.53 | pH 5; Germ: 25 °C | (1) ACD |
| logD | 2.53 | pH 6; Germ: 25 °C | (1) ACD |
| logD | 2.53 | pH 7; Germ: 25 °C | (1) ACD |
| logD | 2.53 | pH 8; Germ: 25 °C | (1) ACD |
| logD | 2.53 | pH 9; Germ: 25 °C | (1) ACD |
| logD | 2.53 | pH 10; Germ: 25 °C | (1) ACD |
| logP | 2,534±0,636 | Germ: 25 °C | (1) ACD |
| Mass Intrinsic Çareseriya | 0,078 g/L | Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 0,078 g/L | pH 1; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 0,078 g/L | pH 2; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 0,078 g/L | pH 3; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 0,078 g/L | pH 4; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 0,078 g/L | pH 5; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 0,078 g/L | pH 6; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 0,078 g/L | pH 7; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 0,078 g/L | pH 8; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 0,078 g/L | pH 9; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 0,078 g/L | pH 10; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 0,078 g/L | pH ava nebuffered 7,00; Germ: 25 °C | (1) ACD |
| Çareseriya Xweseriya Molar | 2,3 x 10-4 mol/L | Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 2,3 x 10-4 mol/L | pH 1; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 2,3 x 10-4 mol/L | pH 2; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 2,3 x 10-4 mol/L | pH 3; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 2,3 x 10-4 mol/L | pH 4; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 2,3 x 10-4 mol/L | pH 5; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 2,3 x 10-4 mol/L | pH 6; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 2,3 x 10-4 mol/L | pH 7; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 2,3 x 10-4 mol/L | pH 8; Germ: 25 °C | (1) ACD |
| Mal | Giranî | Rewş | Kanî |
| Çareseriya Molar | 2,3 x 10-4 mol/L | pH 9; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 2,3 x 10-4 mol/L | pH 10; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 2,3 x 10-4 mol/L | pH ava nebuffered 7,00; Germ: 25 °C | (1) ACD |
| Giraniya molekulî | 339.39 | ||
| pKa | 14,53±0,40 | Germahiya herî asîdî: 25 °C | (1) ACD |
| pKa | -3,10±0,60 | Germahiya herî bingehîn: 25 °C | (1) ACD |
| Vapor Pressure | 6,35 x 10-13 Torr | Germ: 25 °C | (1) ACD |
(1) Bi karanîna Nermalava Pêşveçûna Kîmyaya Pêşkeftî (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs) tê hesab kirin
Density
| Mal | Giranî | Rewş | Kanî |
| Density | 1,318±0,06 g/cm3 | Germ: 20 °C; Çapemenî: 760 Torr | (1) ACD |
| Volume Molar | 257,3±3,0 cm3/mol | Germ: 20 °C; Çapemenî: 760 Torr | (1) ACD |
(1) Bi karanîna Nermalava Pêşveçûna Kîmyaya Pêşkeftî (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs) tê hesab kirin
Lipinski
| Mal | Giranî | Rewş | Kanî |
| Bonds Bi Azadî Rotable | 6 | (1) ACD | |
| H Qebûrker | 5 | (1) ACD | |
| H Donors | 2 | (1) ACD | |
| H Donor / Qebûl Sum | 7 | (1) ACD | |
| logP | 2,534±0,636 | Germ: 25 °C | (1) ACD |
| Giraniya molekulî | 339.39 |
(1) Bi karanîna Nermalava Pêşveçûna Kîmyaya Pêşkeftî (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs) tê hesab kirin
Structure Related
| Mal | Giranî | Rewş | Kanî |
| Qada Rûyê Polar | 70.0 A2 | (1) ACD | |
(1) Bi karanîna Nermalava Pêşveçûna Kîmyaya Pêşkeftî (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs) tê hesab kirin
Termal
| Mal | Giranî | Rewş | Kanî |
| Xala kelandinê | 549,8±40,0 °C | Çapemenî: 760 Torr | (1) ACD |
| Entalpiya Vaporîzasyonê | 87,32±3,0 kJ/mol | Çapemenî: 760 Torr | (1) ACD |
| Flash Point | 286,3±27,3 °C | (1) ACD |
(1) Bi karanîna Nermalava Pêşveçûna Kîmyaya Pêşkeftî (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs) tê hesab kirin
Spectra heye
1H NMR
13C NMR
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![C38H49NO7 1- Pirrolîdinedodecanoic acid, 2- [[bis(4-methoxyphenyl)fenylm etoxy]methyl]-4-hydroxy-λ-oxo-, (2S,4R)- (ACI)](https://cdn.globalso.com/nvchem/C38H49NO7-1-Pyrrolidinedodecanoic-acid-300x300.jpg)
![C30H28N2O7 6H-Furo[2',3':4,5]oxazolo[3,2-a]pyrimidin-6-one, 2-[[bis(4-metoksy phenyl)fenylmethoxy]methyl]-2,3,3a ,9a-tetrahîdro-3-hîdroksî-, (2R,3R,3aS,9aR)- (9CI, ACI)](https://cdn.globalso.com/nvchem/C30H28N2O7-6H-Furo-300x300.jpg)