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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![C50H58N7O9P Adenosine, N-benzoyl-5' -O- [bis(4-methoxyphenyl)fenylmethyl]-2' – O-(2-methoxyethyl)-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl ) fosforamidît] (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- hîdroksî-5-methyl-4-[[(fenîlmetoksî)karbonîl] amino]-, 1,1-dimetîtilethyl ester, [3R-(3R*,4S*,5S*)]- (9CI) H301](https://cdn.globalso.com/nvchem/C20H31NO5-Heptanoic-acid-300x300.jpg)
![C21H21N3O6 Tîmîdîn, α – [(1-naftalenîlmethyl)amino]-α -oxo- (ACI)](https://cdn.globalso.com/nvchem/C21H21N3O6-Thymidine-300x300.png)