C33H39N5O6 L-Ornitinamid, N -
| Esasy fiziki aýratynlyklar | Gymmatlyk | .Agdaý |
| Molekulýar agram | 601.69 | - |
| Gaýnadyş nokady (çak edilýär) | 914.2 ± 65.0 ° C. | Metbugat: 760 Torr |
| Dykyzlygy (çak edilýär) | 1,276 ± 0.06 g / cm3 | Temp: 20 ° C;Metbugat: 760 Torr |
| pKa (çak edilýär) | 10.63 ± 0.46 | Kislotaly templeriň köpüsi: 25 ° C. |
Kanoniki SMILES O = C (OCC1C = 2C = CC = CC2C = 3C = CC = CC31) NC (C (= O) NC (C (= O) NC4 = CC = C (C = C4) CO) CCCNC (= O ) N) C (C) C.
Izomeriki SMILES C (OC (N [C @ H]) (C (N [C @ H]) (C (NC1 = CC = C (CO) C = C1) = O) CCCNC (N) = O) = O) [ C @ H] (C) C) = O) C2C = 3C (C = 4C2 = CC = CC4) = CC = CC3
InChI
InChI = 1S / C33H39N5O6 / c1-20 (2) 29 (38-33 (43) 44-19-27-25-10-5-3-8-23 (25) 24-9-4-6-11- 26 (24) 27) 31 (41) 37-28 (12-7-17-35- 32 (34) 42) 30 (40) 36-22-15-13-21 (18-39) 14-16- 22 / h3-6,8-11,13-16,20,27-29,39H, 7,12,17-19H2,1-2H3, (H, 36,40) (H, 37,41) (H , 38,43) (H3,34,3)
5,42) / t28-, 29- / m0 / s1
InChI açary
DALMAZHDNFCDRP-VMPREFPWSA-N
1 Bu maddanyň başga ady
N - [((H
Spektralar bar
1H NMR
13C NMR
| Sypatlar bar |
| Biologiki |
| Himiki |
| Dykyzlygy |
| Lipinski |
| Gurluşy bilen baglanyşykly |
| Malylylyk |
Biologiki
| Emläk | Gymmatlyk | .Agdaý | Çeşme |
| Biokonsentrasiýa faktory | 809 | pH 1;Temp: 25 ° C. | (1) ACD |
| Biokonsentrasiýa faktory | 912 | pH 2;Temp: 25 ° C. | (1) ACD |
| Biokonsentrasiýa faktory | 923 | pH 3;Temp: 25 ° C. | (1) ACD |
| Biokonsentrasiýa faktory | 924 | pH 4;Temp: 25 ° C. | (1) ACD |
| Biokonsentrasiýa faktory | 924 | pH 5;Temp: 25 ° C. | (1) ACD |
| Biokonsentrasiýa faktory | 924 | pH 6;Temp: 25 ° C. | (1) ACD |
| Biokonsentrasiýa faktory | 924 | pH 7;Temp: 25 ° C. | (1) ACD |
| Biokonsentrasiýa faktory | 922 | pH 8;Temp: 25 ° C. | (1) ACD |
| Biokonsentrasiýa faktory | 903 | pH 9;Temp: 25 ° C. | (1) ACD |
| Biokonsentrasiýa faktory | 750 | pH 10;Temp: 25 ° C. | (1) ACD |
(1) Öňdebaryjy himiýa ösüşi (ACD / Labs) programma üpjünçiligi V11.02 (© 1994-2023 ACD / Labs) ulanyp hasaplanýar.
Himiki
| Emläk | Gymmatlyk | .Agdaý | Çeşme |
| Koc | 4040 | pH 1;Temp: 25 ° C. | (1) ACD |
| Koc | 4550 | pH 2;Temp: 25 ° C. | (1) ACD |
| Koc | 4610 | pH 3;Temp: 25 ° C. | (1) ACD |
| Koc | 4620 | pH 4;Temp: 25 ° C. | (1) ACD |
| Koc | 4620 | pH 5;Temp: 25 ° C. | (1) ACD |
| Koc | 4620 | pH 6;Temp: 25 ° C. | (1) ACD |
| Emläk | Gymmatlyk | .Agdaý | Çeşme |
| Koc | 4620 | pH 7;Temp: 25 ° C. | (1) ACD |
| Koc | 4610 | pH 8;Temp: 25 ° C. | (1) ACD |
| Koc | 4510 | pH 9;Temp: 25 ° C. | (1) ACD |
| Koc | 3740 | pH 10;Temp: 25 ° C. | (1) ACD |
| logD | 4.15 | pH 1;Temp: 25 ° C. | (1) ACD |
| logD | 4.20 | pH 2;Temp: 25 ° C. | (1) ACD |
| logD | 4.20 | pH 3;Temp: 25 ° C. | (1) ACD |
| logD | 4.20 | pH 4;Temp: 25 ° C. | (1) ACD |
| logD | 4.21 | pH 5;Temp: 25 ° C. | (1) ACD |
| logD | 4.21 | pH 6;Temp: 25 ° C. | (1) ACD |
| logD | 4.20 | pH 7;Temp: 25 ° C. | (1) ACD |
| logD | 4.20 | pH 8;Temp: 25 ° C. | (1) ACD |
| logD | 4.19 | pH 9;Temp: 25 ° C. | (1) ACD |
| logD | 4.11 | pH 10;Temp: 25 ° C. | (1) ACD |
| logP | 4.206 ± 0.767 | Temp: 25 ° C. | (1) ACD |
| Köpçüligiň içerki çözgüdi | 1,7 x 10-4 g / L. | Temp: 25 ° C. | (1) ACD |
| Köpçülikleýin çözgüt | 2.0 x 10-4 g / L. | pH 1;Temp: 25 ° C. | (1) ACD |
| Köpçülikleýin çözgüt | 1,7 x 10-4 g / L. | pH 2;Temp: 25 ° C. | (1) ACD |
| Köpçülikleýin çözgüt | 1,7 x 10-4 g / L. | pH 3;Temp: 25 ° C. | (1) ACD |
| Köpçülikleýin çözgüt | 1,7 x 10-4 g / L. | pH 4;Temp: 25 ° C. | (1) ACD |
| Köpçülikleýin çözgüt | 1,7 x 10-4 g / L. | pH 5;Temp: 25 ° C. | (1) ACD |
| Köpçülikleýin çözgüt | 1,7 x 10-4 g / L. | pH 6;Temp: 25 ° C. | (1) ACD |
| Köpçülikleýin çözgüt | 1,7 x 10-4 g / L. | pH 7;Temp: 25 ° C. | (1) ACD |
| Köpçülikleýin çözgüt | 1,7 x 10-4 g / L. | pH 8;Temp: 25 ° C. | (1) ACD |
| Köpçülikleýin çözgüt | 1,7 x 10-4 g / L. | pH 9;Temp: 25 ° C. | (1) ACD |
| Köpçülikleýin çözgüt | 2.1 x 10-4 g / L. | pH 10;Temp: 25 ° C. | (1) ACD |
| Köpçülikleýin çözgüt | 1,7 x 10-4 g / L. | Päsgelçiliksiz suw pH 7.00;Temp: 25 ° C. | (1) ACD |
| Molaryň içerki çözgüdi | 2.9 x 10-7 mol / L. | Temp: 25 ° C. | (1) ACD |
| Molaryň çözgüdi | 3.3 x 10-7 mol / L. | pH 1;Temp: 25 ° C. | (1) ACD |
| Molaryň çözgüdi | 2.9 x 10-7 mol / L. | pH 2;Temp: 25 ° C. | (1) ACD |
| Molaryň çözgüdi | 2.9 x 10-7 mol / L. | pH 3;Temp: 25 ° C. | (1) ACD |
| Molaryň çözgüdi | 2.9 x 10-7 mol / L. | pH 4;Temp: 25 ° C. | (1) ACD |
| Emläk | Gymmatlyk | .Agdaý | Çeşme |
| Molaryň çözgüdi | 2.9 x 10-7 mol / L. | pH 5;Temp: 25 ° C. | (1) ACD |
| Molaryň çözgüdi | 2.9 x 10-7 mol / L. | pH 6;Temp: 25 ° C. | (1) ACD |
| Molaryň çözgüdi | 2.9 x 10-7 mol / L. | pH 7;Temp: 25 ° C. | (1) ACD |
| Molaryň çözgüdi | 2.9 x 10-7 mol / L. | pH 8;Temp: 25 ° C. | (1) ACD |
| Molaryň çözgüdi | 2.9 x 10-7 mol / L. | pH 9;Temp: 25 ° C. | (1) ACD |
| Molaryň çözgüdi | 3,5 x 10-7 mol / L. | pH 10;Temp: 25 ° C. | (1) ACD |
| Molaryň çözgüdi | 2.9 x 10-7 mol / L. | Päsgelçiliksiz suw pH 7.00;Temp: 25 ° C. | (1) ACD |
| Molekulýar agram | 601.69 | ||
| pKa | 10.63 ± 0.46 | Kislotaly templeriň köpüsi: 25 ° C. | (1) ACD |
| pKa | 0,13 ± 0.50 | Iň esasy synag: 25 ° C. | (1) ACD |
| Bug basyşy | 0 Torr | Temp: 25 ° C. | (1) ACD |
(1) Öňdebaryjy himiýa ösüşi (ACD / Labs) programma üpjünçiligi V11.02 (© 1994-2023 ACD / Labs) ulanyp hasaplanýar.
Dykyzlygy
| Emläk | Gymmatlyk | .Agdaý | Çeşme |
| Dykyzlygy | 1,276 ± 0.06 g / cm3 | Temp: 20 ° C;Metbugat: 760 Torr | (1) ACD |
| Molar göwrümi | 471.2 ± 3.0 sm3 / mol | Temp: 20 ° C;Metbugat: 760 Torr | (1) ACD |
(1) Öňdebaryjy himiýa ösüşi (ACD / Labs) programma üpjünçiligi V11.02 (© 1994-2023 ACD / Labs) ulanyp hasaplanýar.
Lipinski
| Emläk | Gymmatlyk | .Agdaý | Çeşme |
| Erkin aýlanýan obligasiýalar | 15 | (1) ACD | |
| H kabul edijiler | 11 | (1) ACD | |
| H Donorlar | 7 | (1) ACD | |
| H Donor / kabul ediji jem | 18 | (1) ACD | |
| logP | 4.206 ± 0.767 | Temp: 25 ° C. | (1) ACD |
| Molekulýar agram | 601.69 |
(1) Öňdebaryjy himiýa ösüşi (ACD / Labs) programma üpjünçiligi V11.02 (© 1994-2023 ACD / Labs) ulanyp hasaplanýar.
Gurluşy bilen baglanyşykly
| Emläk | Gymmatlyk | .Agdaý | Çeşme |
| Polýar üstü meýdany | 172 A2 | (1) ACD | |
(1) Öňdebaryjy himiýa ösüşi (ACD / Labs) programma üpjünçiligi V11.02 (© 1994-2023 ACD / Labs) ulanyp hasaplanýar.
Malylylyk
| Emläk | Gymmatlyk | .Agdaý | Çeşme |
| Gaýnama nokady | 914.2 ± 65.0 ° C. | Metbugat: 760 Torr | (1) ACD |
| Buglaşmagyň entalpiýasy | 139,25 ± 3.0 kJ / mol | Metbugat: 760 Torr | (1) ACD |
| Flash nokady | 506,7 ± 34.3 ° C. | (1) ACD |
(1) Öňdebaryjy himiýa ösüşi (ACD / Labs) programma üpjünçiligi V11.02 (© 1994-2023 ACD / Labs) ulanyp hasaplanýar.
Spektralar bar
1H NMR
13C NMR
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