![C33H39N5O6 L-ornitinamid, N-[(9H-fluoren-9-ylmethoxy) karbonyl] -l-valyl-N5- (Aminocarbonyl) -n- [4- (hydroxymetyl) fenyl]-(9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C33H39N5O6 L-ornitinamid, n-[(9H-fluoren-9-ylmethoxy) karbonyl] -l-valyl-n5- (aminokarbonyl) -n- [4- (hydroxymetyl) fenyl]-(9CI, ACI) presenterat bild](https://cdn.globalso.com/nvchem/C33H39N5O6-L-Ornithinamide.jpg)
C33H39N5O6 L-ornitinamid, N-[(9H-fluoren-9-ylmethoxy) karbonyl] -l-valyl-N5- (Aminocarbonyl) -n- [4- (hydroxymetyl) fenyl]-(9CI, ACI)
| Viktiga fysiska egenskaper | Värde | Skick |
| Molekylvikt | 601.69 | - |
| Kokpunkt (förutsagt) | 914,2 ± 65,0 ° C | Press: 760 Torr |
| Densitet (förutspådd) | 1,276 ± 0,06 g/cm3 | Temp: 20 ° C; Press: 760 Torr |
| PKA (förutspådd) | 10.63 ± 0,46 | Mest sura temp: 25 ° C |
Kanoniska leenden 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)
Isomera leenden C (oc (n [c@h] (c (n [c@h] (c (nc1 = cc = c (co) c = c1) = o) cccnc (n) = o) = o) [c@h] (c) = o) c2c = 3c (c = 4c2 = cc = cc4) = cc = cc = cc3
Tum
Tum = 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 (12-7-17-35-2 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, 7,17-19H3,1-2H3, (H, 36,40) (H, 37,41) (H, 38,4333)
5,42)/T28-, 29-/m0/S1
Inchi -nyckel
Dalmazhdnfcdrp-vmprefpwsa-n
1 annat namn för detta ämne
N-[(9H-fluoren-9-ylmethoxy) karbonyl] -l-valyl-N5- (aminocarbonyl) -n- [4- (hydroximetyl) fenyl] -l-ornitinamid (ACI)
Spektra tillgängligt
1H NMR
13C NMR
| Egenskaper tillgängliga |
| Biologisk |
| Kemisk |
| Densitet |
| Lipinski |
| Strukturrelaterad |
| Termisk |
Biologisk
| Egendom | Värde | Skick | Källa |
| Biokoncentrationsfaktor | 809 | pH 1; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 912 | ph 2; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 923 | pH 3; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 924 | pH 4; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 924 | pH 5; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 924 | pH 6; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 924 | pH 7; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 922 | pH 8; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 903 | pH 9; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 750 | pH 10; Temp: 25 ° C | (1) ACD |
(1) Beräknad med hjälp av Advanced Chemistry Development (ACD/LABS) Software V11.02 (© 1994-2023 ACD/LABS)
Kemisk
| Egendom | Värde | Skick | Källa |
| 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 |
| Egendom | Värde | Skick | Källa |
| 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 |
| inloggning | 4.206 ± 0,767 | Temp: 25 ° C | (1) ACD |
| Massa inneboende löslighet | 1,7 x 10-4 g/l | Temp: 25 ° C | (1) ACD |
| Masslöslighet | 2,0 x 10-4 g/l | pH 1; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 1,7 x 10-4 g/l | ph 2; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 1,7 x 10-4 g/l | pH 3; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 1,7 x 10-4 g/l | pH 4; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 1,7 x 10-4 g/l | pH 5; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 1,7 x 10-4 g/l | pH 6; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 1,7 x 10-4 g/l | pH 7; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 1,7 x 10-4 g/l | pH 8; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 1,7 x 10-4 g/l | pH 9; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 2,1 x 10-4 g/l | pH 10; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 1,7 x 10-4 g/l | Obufferat vatten pH 7,00; Temp: 25 ° C | (1) ACD |
| Molar inre löslighet | 2,9 x 10-7 mol/l | Temp: 25 ° C | (1) ACD |
| Mollöslighet | 3,3 x 10-7 mol/l | pH 1; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 2,9 x 10-7 mol/l | ph 2; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 2,9 x 10-7 mol/l | pH 3; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 2,9 x 10-7 mol/l | pH 4; Temp: 25 ° C | (1) ACD |
| Egendom | Värde | Skick | Källa |
| Mollöslighet | 2,9 x 10-7 mol/l | pH 5; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 2,9 x 10-7 mol/l | pH 6; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 2,9 x 10-7 mol/l | pH 7; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 2,9 x 10-7 mol/l | pH 8; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 2,9 x 10-7 mol/l | pH 9; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 3,5 x 10-7 mol/l | pH 10; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 2,9 x 10-7 mol/l | Obufferat vatten pH 7,00; Temp: 25 ° C | (1) ACD |
| Molekylvikt | 601.69 | ||
| pka | 10.63 ± 0,46 | Mest sura temp: 25 ° C | (1) ACD |
| pka | 0,13 ± 0,50 | Mest grundläggande temp: 25 ° C | (1) ACD |
| Ångtryck | 0 Torr | Temp: 25 ° C | (1) ACD |
(1) Beräknad med hjälp av Advanced Chemistry Development (ACD/LABS) Software V11.02 (© 1994-2023 ACD/LABS)
Densitet
| Egendom | Värde | Skick | Källa |
| Densitet | 1,276 ± 0,06 g/cm3 | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
| Molvolym | 471,2 ± 3,0 cm3/mol | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
(1) Beräknad med hjälp av Advanced Chemistry Development (ACD/LABS) Software V11.02 (© 1994-2023 ACD/LABS)
Lipinski
| Egendom | Värde | Skick | Källa |
| Fritt roterbara bindningar | 15 | (1) ACD | |
| H acceptorer | 11 | (1) ACD | |
| H givare | 7 | (1) ACD | |
| H givare/acceptor summa | 18 | (1) ACD | |
| inloggning | 4.206 ± 0,767 | Temp: 25 ° C | (1) ACD |
| Molekylvikt | 601.69 |
(1) Beräknad med hjälp av Advanced Chemistry Development (ACD/LABS) Software V11.02 (© 1994-2023 ACD/LABS)
Strukturrelaterad
| Egendom | Värde | Skick | Källa |
| Polär yta | 172 A2 | (1) ACD | |
(1) Beräknad med hjälp av Advanced Chemistry Development (ACD/LABS) Software V11.02 (© 1994-2023 ACD/LABS)
Termisk
| Egendom | Värde | Skick | Källa |
| Kokpunkt | 914,2 ± 65,0 ° C | Press: 760 Torr | (1) ACD |
| Entalpi av förångning | 139,25 ± 3,0 kJ/mol | Press: 760 Torr | (1) ACD |
| Flashpoint | 506,7 ± 34,3 ° C | (1) ACD |
(1) Beräknad med hjälp av Advanced Chemistry Development (ACD/LABS) Software V11.02 (© 1994-2023 ACD/LABS)
Spektra tillgängligt
1H NMR
13C NMR
![C31H32N2O8-uridin, 5'-O-O-[Bis (4-metoxifenyl) fenylmetyl] -2'-O-metyl- (9C I, ACI)](https://cdn.globalso.com/nvchem/C31H32N2O8-Uridine-300x300.jpg)
![C20H31NO5 heptansyra, 3- hydroxi-5-metyl-4-[[(fenylmetoxi) karbonyl] amino]-, 1,1-dimetyletylester, [3r- (3r*, 4s*, 5s*)]-(9ci) h30111](https://cdn.globalso.com/nvchem/C20H31NO5-Heptanoic-acid-300x300.jpg)
![L-ornitinamid, L-valyl-N5- (aminokarbonyl) -n- [4- (hydroximetyl) fenyl]-(9ci, ACI) H335, H319, H315, H302](https://cdn.globalso.com/nvchem/L-Ornithinamide-300x300.jpg)
![C44H49N5O7SI-adenosin, N-bensoyl-5'-O-O- [Bis (4-metoxifenyl) fenylmetyl] -2'- O-[(1,1-dimetyletyl) dimetylsilyl]-(9ci, ACI))](https://cdn.globalso.com/nvchem/C44H49N5O7Si-Adenosine-300x300.jpg)
![C10H12N2O5 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-one, 2,3,3a,9a-tetrah ydro-3-hydroxy-2-(hydroxymethyl)-7-methyl-, (2R,3 R,3aS,9aR)- (9CI, ACI)](https://cdn.globalso.com/nvchem/C10H12N2O5-6H-Furo-300x300.jpg)