![C20H31NO5 Aċidu heptanoic, 3- hydroxy-5-methyl-4 - [[(fenilmethoxy) carbonyl] amino] -, 1,1-dimetilethyl ester, [3r- (3r *, 4S *, 5S *)] - (9CI) H301](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C20H31NO5 Aċidu heptanoic, 3- hydroxy-5-methyl-4 - [[(fenilmethoxy) carbonyl] amino] -, 1,1-dimethylethyl ester, [3r- (3r *, 4s *, 5s *)] - (9CI) H301 immaġni.](https://cdn.globalso.com/nvchem/C20H31NO5-Heptanoic-acid.jpg)
C20H31NO5 Aċidu heptanoic, 3- hydroxy-5-methyl-4 - [[(fenilmethoxy) carbonyl] amino] -, 1,1-dimetilethyl ester, [3r- (3r *, 4S *, 5S *)] - (9CI) H301
| Propjetajiet fiżiċi ewlenin | Valur | Kundizzjoni |
| Piż molekulari | 365.46 | - |
| Punt tat-togħlija (imbassar) | 504.1 ± 50.0 ° C. | Agħfas: 760 Torr |
| Densità (prevista) | 1.091 ± 0.06 g / cm3 | Temp: 20 ° C; Agħfas: 760 Torr |
| PKA (imbassar) | 11.82 ± 0.46 | L-iktar temp aċiduż: 25 ° C |
Tbissem kanoniku O = C (occ = 1c = CC = CC1) NC (C (O) CC (= O) OC (C) (C) C) C (C) CC
Tbissem isomeriku [c @ h] ([c @@ h] (cc (oc (c) (c) c) = o) o) (nc (occ1 = cc = cc = c1) = o) [c @ h] (cc) c
Inchi
INCHI = 1S / C20H31NO5 / C1-6-14 (2) 18 (16 (22) 12-17 (23) 26-20 (3,4) 5) 21-19 (24) 25-13-15-15-10-8-7-9-11-15 / H7-1114,14,16,18,22h, 6,12-13H2,1-5 H3, (h, 21,24) / t14-, 16 +, 18- / m0 / s1
INCHI Key
Aztsbawjrolriq-lescradosa-n
| Proprjetajiet disponibbli |
| Bijoloġiku |
| Kimika |
| Densità |
| Lipinski |
| Struttura relatata |
| Termali |
Bijoloġiku
| Proprjetà | Valur | Kundizzjoni | Sors |
| Fattur tal-bijokonċentrazzjoni | 616 | pH 1; Temp: 25 ° C. | (1) ACD |
| Fattur tal-bijokonċentrazzjoni | 617 | pH 2; Temp: 25 ° C. | (1) ACD |
| Fattur tal-bijokonċentrazzjoni | 617 | pH 3; Temp: 25 ° C. | (1) ACD |
| Fattur tal-bijokonċentrazzjoni | 617 | pH 4; Temp: 25 ° C. | (1) ACD |
| Fattur tal-bijokonċentrazzjoni | 617 | pH 5; Temp: 25 ° C. | (1) ACD |
| Fattur tal-bijokonċentrazzjoni | 617 | pH 6; Temp: 25 ° C. | (1) ACD |
| Fattur tal-bijokonċentrazzjoni | 617 | pH 7; Temp: 25 ° C. | (1) ACD |
| Fattur tal-bijokonċentrazzjoni | 617 | pH 8; Temp: 25 ° C. | (1) ACD |
| Fattur tal-bijokonċentrazzjoni | 616 | pH 9; Temp: 25 ° C. | (1) ACD |
| Fattur tal-bijokonċentrazzjoni | 604 | pH 10; Temp: 25 ° C. | (1) ACD |
(1) Ikkalkulat bl-użu ta 'Żvilupp tal-Kimika Avvanzata (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Kimika
| Proprjetà | Valur | Kundizzjoni | Sors |
| Koc | 3450 | pH 1; Temp: 25 ° C. | (1) ACD |
| Koc | 3460 | pH 2; Temp: 25 ° C. | (1) ACD |
| Koc | 3460 | pH 3; Temp: 25 ° C. | (1) ACD |
| Koc | 3460 | pH 4; Temp: 25 ° C. | (1) ACD |
| Koc | 3460 | pH 5; Temp: 25 ° C. | (1) ACD |
| Koc | 3460 | pH 6; Temp: 25 ° C. | (1) ACD |
| Koc | 3460 | pH 7; Temp: 25 ° C. | (1) ACD |
| Koc | 3460 | pH 8; Temp: 25 ° C. | (1) ACD |
| Koc | 3450 | pH 9; Temp: 25 ° C. | (1) ACD |
| Koc | 3390 | pH 10; Temp: 25 ° C. | (1) ACD |
| logd | 3.97 | pH 1; Temp: 25 ° C. | (1) ACD |
| Proprjetà | Valur | Kundizzjoni | Sors |
| logd | 3.97 | pH 2; Temp: 25 ° C. | (1) ACD |
| logd | 3.97 | pH 3; Temp: 25 ° C. | (1) ACD |
| logd | 3.97 | pH 4; Temp: 25 ° C. | (1) ACD |
| logd | 3.97 | pH 5; Temp: 25 ° C. | (1) ACD |
| logd | 3.97 | pH 6; Temp: 25 ° C. | (1) ACD |
| logd | 3.97 | pH 7; Temp: 25 ° C. | (1) ACD |
| logd | 3.97 | pH 8; Temp: 25 ° C. | (1) ACD |
| logd | 3.97 | pH 9; Temp: 25 ° C. | (1) ACD |
| logd | 3.96 | pH 10; Temp: 25 ° C. | (1) ACD |
| logp | 3.974 ± 0.543 | Temp: 25 ° C. | (1) ACD |
| Solubilità intrinsika tal-massa | 0.062 g / L. | Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 0.062 g / L. | pH 1; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 0.062 g / L. | pH 2; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 0.062 g / L. | pH 3; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 0.062 g / L. | pH 4; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 0.062 g / L. | pH 5; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 0.062 g / L. | pH 6; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 0.062 g / L. | pH 7; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 0.062 g / L. | pH 8; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 0.062 g / L. | pH 9; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 0.062 g / L. | pH 10; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 0.062 g / L. | PH ta 'ilma mhux imballat 6.99; Temp: 25 ° C. | (1) ACD |
| Solubilità intrinsika molari | 1.7 x 10-4 mol / l | Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 1.7 x 10-4 mol / l | pH 1; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 1.7 x 10-4 mol / l | pH 2; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 1.7 x 10-4 mol / l | pH 3; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 1.7 x 10-4 mol / l | pH 4; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 1.7 x 10-4 mol / l | pH 5; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 1.7 x 10-4 mol / l | pH 6; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 1.7 x 10-4 mol / l | pH 7; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 1.7 x 10-4 mol / l | pH 8; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 1.7 x 10-4 mol / l | pH 9; Temp: 25 ° C. | (1) ACD |
| Proprjetà | Valur | Kundizzjoni | Sors |
| Solubilità molari | 1.7 x 10-4 mol / l | pH 10; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 1.7 x 10-4 mol / l | PH ta 'ilma mhux imballat 6.99; Temp: 25 ° C. | (1) ACD |
| Piż molekulari | 365.46 | ||
| PKA | 11.82 ± 0.46 | L-iktar temp aċiduż: 25 ° C | (1) ACD |
| PKA | -1.56 ± 0.70 | L-iktar temp bażiku: 25 ° C | (1) ACD |
| Pressjoni tal-fwar | 5.56 x 10-11 Torr | Temp: 25 ° C. | (1) ACD |
(1) Ikkalkulat bl-użu ta 'Żvilupp tal-Kimika Avvanzata (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Densità
| Proprjetà | Valur | Kundizzjoni | Sors |
| Densità | 1.091 ± 0.06 g / cm3 | Temp: 20 ° C; Agħfas: 760 Torr | (1) ACD |
| Volum molari | 334.7 ± 3.0 cm3 / mol | Temp: 20 ° C; Agħfas: 760 Torr | (1) ACD |
(1) Ikkalkulat bl-użu ta 'Żvilupp tal-Kimika Avvanzata (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Lipinski
| Proprjetà | Valur | Kundizzjoni | Sors |
| Bonds li jduru liberament | 12 | (1) ACD | |
| H aċċettaturi | 6 | (1) ACD | |
| H donaturi | 2 | (1) ACD | |
| H Donatur / Aċċettatur Somma | 8 | (1) ACD | |
| logp | 3.974 ± 0.543 | Temp: 25 ° C. | (1) ACD |
| Piż molekulari | 365.46 |
(1) Ikkalkulat bl-użu ta 'Żvilupp tal-Kimika Avvanzata (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Struttura relatata
| Proprjetà | Valur | Kundizzjoni | Sors |
| Erja tal-wiċċ polari | 84.9 A2 | (1) ACD | |
(1) Ikkalkulat bl-użu ta 'Żvilupp tal-Kimika Avvanzata (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Termali
| Proprjetà | Valur | Kundizzjoni | Sors |
| Punt tat-togħlija | 504.1 ± 50.0 ° C. | Agħfas: 760 Torr | (1) ACD |
| Entalpija tal-vaporizzazzjoni | 81.44 ± 3.0 kJ / mol | Agħfas: 760 Torr | (1) ACD |
| Punt flash | 258.6 ± 30.1 ° C. | (1) ACD |
(1) Ikkalkulat bl-użu ta 'Żvilupp tal-Kimika Avvanzata (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Spettri disponibbli
1H NMR
13C NMR
| Kodiċi | Dikjarazzjoni tal-Periklu | Sors |
| H301 | Tossiku jekk jinbela ' | Aġenzija Kimika Ewropea (ECHA) Klassifikazzjoni u Tikkettar Inventarju - Klassifikazzjoni u Tikkettar Notifikati - L-iktar Notifiki Komuni, Klassifikazzjoni tal-Aġenzija Kimika Ewropea (ECHA) Klassifikazzjoni u Inventarju tat-Tikkettar - Klassifikazzjoni u Tikkettar Notifikati - L-iktar notifiki serji |
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