![C20H31NO5 azido heptanoikoa, 3- hydroxy-5-methyl-4 - [[(fenilmetoxia) karbonyl] Amino] - 1,1-dimetektilistil ester, [3r- (3r *, 4s *, 5s *)] - (9ci) H301](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C20H31NO5 azido heptanoikoa, 3- hydroxy-5-methyl-4 - [[(fenilmetoxia) karbonyl] Amino] - 1,1-dimetektilly ester, [3r- (3r *, 4s *, 5s) - (9ci) H301 H301 H301 Nabarmendutako irudia](https://cdn.globalso.com/nvchem/C20H31NO5-Heptanoic-acid.jpg)
C20H31NO5 azido heptanoikoa, 3- hydroxy-5-methyl-4 - [[(fenilmetoxia) karbonyl] Amino] - 1,1-dimetektilistil ester, [3r- (3r *, 4s *, 5s *)] - (9ci) H301
| Ezaugarri fisikoak funtsezkoak | Balio | Baldintza |
| Pisu molekularra | 365,46 | - |
| Irakite-puntua (aurreikusita) | 504,1 ± 50,0 ° C | Prentsa: 760 Torr |
| Dentsitatea (aurreikusitakoa) | 1.091 ± 0,06 g / cm3 | Temp: 20 ° C; Prentsa: 760 Torr |
| pka (aurreikusita) | 11,82 ± 0,46 | Gai azido gehienak: 25 ° C |
Irribarre kanonikoak o = c (occ = 1c = cc = cc1) nc (c (o) cc (= o) oc (c) (c) (c) c) c (c) cc
Irribarre isomerikoak [c @ h] ([c @@ h] (cc (oc (c) (c) (o) o) (nc (occ1 = cc = cc = c1) = o) [c @ h] (cc) c
Inchi
INCHI = 1S / C20H31NO5 / C1-6-14 (2) 18 (16) 12-17 (23) 12-17 (3,4) 26-20 (24) 21-19 (24) 25-19 (24) 25-13-15-11-10-8-11,14,16,18,22h, 6,12-13h2,1-5 H3, (H, 21,24) / T14-, 16 +, 18- / m0 / s1
Inchi gakoa
Aztsbawjrolriq-lescradosa-n
| Ezaugarriak eskuragarri |
| Biologiko |
| Gai kimiko |
| Dentsitate |
| Lipinski |
| Egitura erlazionatua |
| Termal |
Biologiko
| Jabetasun | Balio | Baldintza | Iturri |
| Bioconcentration faktorea | 616 | pH 1; Temp: 25 ° C | (1) ACD |
| Bioconcentration faktorea | 617 | PH 2; Temp: 25 ° C | (1) ACD |
| Bioconcentration faktorea | 617 | pH 3; Temp: 25 ° C | (1) ACD |
| Bioconcentration faktorea | 617 | PH 4; Temp: 25 ° C | (1) ACD |
| Bioconcentration faktorea | 617 | PH 5; Temp: 25 ° C | (1) ACD |
| Bioconcentration faktorea | 617 | PH 6; Temp: 25 ° C | (1) ACD |
| Bioconcentration faktorea | 617 | PH 7; Temp: 25 ° C | (1) ACD |
| Bioconcentration faktorea | 617 | PH 8; Temp: 25 ° C | (1) ACD |
| Bioconcentration faktorea | 616 | PH 9; Temp: 25 ° C | (1) ACD |
| Bioconcentration faktorea | 604 | pH 10; Temp: 25 ° C | (1) ACD |
(1) Kimika aurreratua garatzea (ACD / LABS) softwarea erabiliz kalkulatuta (© 1994-2023 ACD / Labs)
Gai kimiko
| Jabetasun | Balio | Baldintza | Iturri |
| 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 |
| sintika | 397 | pH 1; Temp: 25 ° C | (1) ACD |
| Jabetasun | Balio | Baldintza | Iturri |
| sintika | 397 | PH 2; Temp: 25 ° C | (1) ACD |
| sintika | 397 | pH 3; Temp: 25 ° C | (1) ACD |
| sintika | 397 | PH 4; Temp: 25 ° C | (1) ACD |
| sintika | 397 | PH 5; Temp: 25 ° C | (1) ACD |
| sintika | 397 | PH 6; Temp: 25 ° C | (1) ACD |
| sintika | 397 | PH 7; Temp: 25 ° C | (1) ACD |
| sintika | 397 | PH 8; Temp: 25 ° C | (1) ACD |
| sintika | 397 | PH 9; Temp: 25 ° C | (1) ACD |
| sintika | 396 | pH 10; Temp: 25 ° C | (1) ACD |
| logpp | 3.974 ± 0,543 | Temp: 25 ° C | (1) ACD |
| Intrinsic disolbagarritasuna | 0,062 g / l | Temp: 25 ° C | (1) ACD |
| Disolbagarritasun masiboa | 0,062 g / l | pH 1; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun masiboa | 0,062 g / l | PH 2; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun masiboa | 0,062 g / l | pH 3; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun masiboa | 0,062 g / l | PH 4; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun masiboa | 0,062 g / l | PH 5; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun masiboa | 0,062 g / l | PH 6; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun masiboa | 0,062 g / l | PH 7; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun masiboa | 0,062 g / l | PH 8; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun masiboa | 0,062 g / l | PH 9; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun masiboa | 0,062 g / l | pH 10; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun masiboa | 0,062 g / l | URA EZ DUTEN PH 6,99; Temp: 25 ° C | (1) ACD |
| Molar berezko disolbagarritasuna | 1,7 x 10-4 mol / l | Temp: 25 ° C | (1) ACD |
| Disolbagarritasun molarra | 1,7 x 10-4 mol / l | pH 1; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun molarra | 1,7 x 10-4 mol / l | PH 2; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun molarra | 1,7 x 10-4 mol / l | pH 3; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun molarra | 1,7 x 10-4 mol / l | PH 4; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun molarra | 1,7 x 10-4 mol / l | PH 5; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun molarra | 1,7 x 10-4 mol / l | PH 6; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun molarra | 1,7 x 10-4 mol / l | PH 7; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun molarra | 1,7 x 10-4 mol / l | PH 8; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun molarra | 1,7 x 10-4 mol / l | PH 9; Temp: 25 ° C | (1) ACD |
| Jabetasun | Balio | Baldintza | Iturri |
| Disolbagarritasun molarra | 1,7 x 10-4 mol / l | pH 10; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun molarra | 1,7 x 10-4 mol / l | URA EZ DUTEN PH 6,99; Temp: 25 ° C | (1) ACD |
| Pisu molekularra | 365,46 | ||
| pka | 11,82 ± 0,46 | Gai azido gehienak: 25 ° C | (1) ACD |
| pka | -1,56 ± 0,70 | Oinarrizko tenperatura: 25 ° C | (1) ACD |
| Lurrunaren presioa | 5,56 x 10-11 torr | Temp: 25 ° C | (1) ACD |
(1) Kimika aurreratua garatzea (ACD / LABS) softwarea erabiliz kalkulatuta (© 1994-2023 ACD / Labs)
Dentsitate
| Jabetasun | Balio | Baldintza | Iturri |
| Dentsitate | 1.091 ± 0,06 g / cm3 | Temp: 20 ° C; Prentsa: 760 Torr | (1) ACD |
| Bolumen molarra | 334,7 ± 3,0 cm3 / mol | Temp: 20 ° C; Prentsa: 760 Torr | (1) ACD |
(1) Kimika aurreratua garatzea (ACD / LABS) softwarea erabiliz kalkulatuta (© 1994-2023 ACD / Labs)
Lipinski
| Jabetasun | Balio | Baldintza | Iturri |
| Lotura libreki birakariak | 12 | (1) ACD | |
| H Onartzaileak | 6 | (1) ACD | |
| H Emaileak | 2 | (1) ACD | |
| H emaile / onartzaileen batura | 8 | (1) ACD | |
| logpp | 3.974 ± 0,543 | Temp: 25 ° C | (1) ACD |
| Pisu molekularra | 365,46 |
(1) Kimika aurreratua garatzea (ACD / LABS) softwarea erabiliz kalkulatuta (© 1994-2023 ACD / Labs)
Egitura erlazionatua
| Jabetasun | Balio | Baldintza | Iturri |
| Azalera polarra | 84,9 A2 | (1) ACD | |
(1) Kimika aurreratua garatzea (ACD / LABS) softwarea erabiliz kalkulatuta (© 1994-2023 ACD / Labs)
Termal
| Jabetasun | Balio | Baldintza | Iturri |
| Irakiten puntua | 504,1 ± 50,0 ° C | Prentsa: 760 Torr | (1) ACD |
| Lurruntzeko entalpia | 81,44 ± 3.0 kJ / mol | Prentsa: 760 Torr | (1) ACD |
| Flash puntu | 258,6 ± 30,1 ºC | (1) ACD |
(1) Kimika aurreratua garatzea (ACD / LABS) softwarea erabiliz kalkulatuta (© 1994-2023 ACD / Labs)
Espektroak eskuragarri
1h nmr
13C NMR
| Klabe | Arriskuen adierazpena | Iturri |
| H301 | Toxikoa irentsi bada | Europako Kimika Agentzia (ECHA) Inbentarioa eta etiketatzearen inbentarioa - Jakinarazitako sailkapena eta etiketatzea - Ohiko jakinarazpenak, Europako Agentzia Kimikoa (ECHA) Sailkapena eta etiketatzea Inbentarioa - Jakinarazitako sailkapena eta etiketatzea - Jakinarazpen larriak |
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