![C33H39N5O6 l-ornithinamid, n-[(9H-fluoren-9-ylmethoxy) carbonyl] -l-Valyl-n5- (Aminocarbonyl) -n- [4- (Hydroxymethyl) Phenyl]-(9CI, ACI)-ACI))](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C33H39N5O6 L-ornithinamid, n-[(9H-Fluoren-9-ylmethoxy) -Carbonyl] -l-Valyl-n5- (Aminocarbonyl) -n- [4- (Hydroxymethyl) Phenyl]-(9Ci, ACI, ACI), das bildbild wurde, das bildbild wurde enthielt bildbildete Bild, die im Bild gehörte, enthielt, enthielt bildbild](https://cdn.globalso.com/nvchem/C33H39N5O6-L-Ornithinamide.jpg)
C33H39N5O6 l-ornithinamid, n-[(9H-fluoren-9-ylmethoxy) carbonyl] -l-Valyl-n5- (Aminocarbonyl) -n- [4- (Hydroxymethyl) Phenyl]-(9CI, ACI)-ACI))
| Wichtige physikalische Eigenschaften | Wert | Zustand |
| Molekulargewicht | 601.69 | - |
| Siedepunkt (vorhergesagt) | 914,2 ± 65,0 ° C. | Drücken Sie: 760 Torr |
| Dichte (vorhergesagt) | 1,276 ± 0,06 g/cm3 | Temperatur: 20 ° C; Drücken Sie: 760 Torr |
| PKA (vorhergesagt) | 10,63 ± 0,46 | Säurigste Temperatur: 25 ° C |
Kanonisches Lächeln 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
Isomerisches Lächeln 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 (12-7-17-35-35-35- 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 -Schlüssel
Dalmazhdnfcdrp-vmprefpwsa-n
1 anderer Name für diese Substanz
N-[(9H-Fluoren-9-ylmethoxy) carbonyl] -l-Valyl-n5- (Aminocarbonyl) -n- [4- (hydroxymethyl) Phenyl] -l-ornithinamid (ACI)
Spektren verfügbar
1H NMR
13c nmr
| Eigenschaften verfügbar |
| Biologisch |
| Chemikalie |
| Dichte |
| Lipinski |
| Struktur verwandt |
| Thermal |
Biologisch
| Eigentum | Wert | Zustand | Quelle |
| Biokonzentrationsfaktor | 809 | pH 1; Temperatur: 25 ° C. | (1) ACD |
| Biokonzentrationsfaktor | 912 | pH 2; Temperatur: 25 ° C. | (1) ACD |
| Biokonzentrationsfaktor | 923 | pH 3; Temperatur: 25 ° C. | (1) ACD |
| Biokonzentrationsfaktor | 924 | pH 4; Temperatur: 25 ° C. | (1) ACD |
| Biokonzentrationsfaktor | 924 | pH 5; Temperatur: 25 ° C. | (1) ACD |
| Biokonzentrationsfaktor | 924 | pH 6; Temperatur: 25 ° C. | (1) ACD |
| Biokonzentrationsfaktor | 924 | pH 7; Temperatur: 25 ° C. | (1) ACD |
| Biokonzentrationsfaktor | 922 | pH 8; Temperatur: 25 ° C. | (1) ACD |
| Biokonzentrationsfaktor | 903 | pH 9; Temperatur: 25 ° C. | (1) ACD |
| Biokonzentrationsfaktor | 750 | pH 10; Temperatur: 25 ° C. | (1) ACD |
(1) Berechnet mithilfe der Software V11.02 (ACD/LABS) (ACD/LABS) (© 1994-2023 ACD/Labs)
Chemikalie
| Eigentum | Wert | Zustand | Quelle |
| Koc | 4040 | pH 1; Temperatur: 25 ° C. | (1) ACD |
| Koc | 4550 | pH 2; Temperatur: 25 ° C. | (1) ACD |
| Koc | 4610 | pH 3; Temperatur: 25 ° C. | (1) ACD |
| Koc | 4620 | pH 4; Temperatur: 25 ° C. | (1) ACD |
| Koc | 4620 | pH 5; Temperatur: 25 ° C. | (1) ACD |
| Koc | 4620 | pH 6; Temperatur: 25 ° C. | (1) ACD |
| Eigentum | Wert | Zustand | Quelle |
| Koc | 4620 | pH 7; Temperatur: 25 ° C. | (1) ACD |
| Koc | 4610 | pH 8; Temperatur: 25 ° C. | (1) ACD |
| Koc | 4510 | pH 9; Temperatur: 25 ° C. | (1) ACD |
| Koc | 3740 | pH 10; Temperatur: 25 ° C. | (1) ACD |
| logd | 4.15 | pH 1; Temperatur: 25 ° C. | (1) ACD |
| logd | 4.20 | pH 2; Temperatur: 25 ° C. | (1) ACD |
| logd | 4.20 | pH 3; Temperatur: 25 ° C. | (1) ACD |
| logd | 4.20 | pH 4; Temperatur: 25 ° C. | (1) ACD |
| logd | 4.21 | pH 5; Temperatur: 25 ° C. | (1) ACD |
| logd | 4.21 | pH 6; Temperatur: 25 ° C. | (1) ACD |
| logd | 4.20 | pH 7; Temperatur: 25 ° C. | (1) ACD |
| logd | 4.20 | pH 8; Temperatur: 25 ° C. | (1) ACD |
| logd | 4.19 | pH 9; Temperatur: 25 ° C. | (1) ACD |
| logd | 4.11 | pH 10; Temperatur: 25 ° C. | (1) ACD |
| logp | 4,206 ± 0,767 | Temperatur: 25 ° C. | (1) ACD |
| Intrinsische Massenlöslichkeit | 1,7 x 10-4 g/l | Temperatur: 25 ° C. | (1) ACD |
| Massenlöslichkeit | 2,0 x 10-4 g/l | pH 1; Temperatur: 25 ° C. | (1) ACD |
| Massenlöslichkeit | 1,7 x 10-4 g/l | pH 2; Temperatur: 25 ° C. | (1) ACD |
| Massenlöslichkeit | 1,7 x 10-4 g/l | pH 3; Temperatur: 25 ° C. | (1) ACD |
| Massenlöslichkeit | 1,7 x 10-4 g/l | pH 4; Temperatur: 25 ° C. | (1) ACD |
| Massenlöslichkeit | 1,7 x 10-4 g/l | pH 5; Temperatur: 25 ° C. | (1) ACD |
| Massenlöslichkeit | 1,7 x 10-4 g/l | pH 6; Temperatur: 25 ° C. | (1) ACD |
| Massenlöslichkeit | 1,7 x 10-4 g/l | pH 7; Temperatur: 25 ° C. | (1) ACD |
| Massenlöslichkeit | 1,7 x 10-4 g/l | pH 8; Temperatur: 25 ° C. | (1) ACD |
| Massenlöslichkeit | 1,7 x 10-4 g/l | pH 9; Temperatur: 25 ° C. | (1) ACD |
| Massenlöslichkeit | 2,1 x 10-4 g/l | pH 10; Temperatur: 25 ° C. | (1) ACD |
| Massenlöslichkeit | 1,7 x 10-4 g/l | Abgelaufenes Wasser pH 7,00; Temperatur: 25 ° C. | (1) ACD |
| Intrinsische Molflöslichkeit | 2,9 x 10-7 mol/l | Temperatur: 25 ° C. | (1) ACD |
| Molare Löslichkeit | 3,3 x 10-7 mol/l | pH 1; Temperatur: 25 ° C. | (1) ACD |
| Molare Löslichkeit | 2,9 x 10-7 mol/l | pH 2; Temperatur: 25 ° C. | (1) ACD |
| Molare Löslichkeit | 2,9 x 10-7 mol/l | pH 3; Temperatur: 25 ° C. | (1) ACD |
| Molare Löslichkeit | 2,9 x 10-7 mol/l | pH 4; Temperatur: 25 ° C. | (1) ACD |
| Eigentum | Wert | Zustand | Quelle |
| Molare Löslichkeit | 2,9 x 10-7 mol/l | pH 5; Temperatur: 25 ° C. | (1) ACD |
| Molare Löslichkeit | 2,9 x 10-7 mol/l | pH 6; Temperatur: 25 ° C. | (1) ACD |
| Molare Löslichkeit | 2,9 x 10-7 mol/l | pH 7; Temperatur: 25 ° C. | (1) ACD |
| Molare Löslichkeit | 2,9 x 10-7 mol/l | pH 8; Temperatur: 25 ° C. | (1) ACD |
| Molare Löslichkeit | 2,9 x 10-7 mol/l | pH 9; Temperatur: 25 ° C. | (1) ACD |
| Molare Löslichkeit | 3,5 x 10-7 mol/l | pH 10; Temperatur: 25 ° C. | (1) ACD |
| Molare Löslichkeit | 2,9 x 10-7 mol/l | Abgelaufenes Wasser pH 7,00; Temperatur: 25 ° C. | (1) ACD |
| Molekulargewicht | 601.69 | ||
| PKA | 10,63 ± 0,46 | Säurigste Temperatur: 25 ° C | (1) ACD |
| PKA | 0,13 ± 0,50 | Grundlegendste Temperatur: 25 ° C | (1) ACD |
| Dampfdruck | 0 Torr | Temperatur: 25 ° C. | (1) ACD |
(1) Berechnet mithilfe der Software V11.02 (ACD/LABS) (ACD/LABS) (© 1994-2023 ACD/Labs)
Dichte
| Eigentum | Wert | Zustand | Quelle |
| Dichte | 1,276 ± 0,06 g/cm3 | Temperatur: 20 ° C; Drücken Sie: 760 Torr | (1) ACD |
| Molvolumen | 471,2 ± 3,0 cm3/mol | Temperatur: 20 ° C; Drücken Sie: 760 Torr | (1) ACD |
(1) Berechnet mithilfe der Software V11.02 (ACD/LABS) (ACD/LABS) (© 1994-2023 ACD/Labs)
Lipinski
| Eigentum | Wert | Zustand | Quelle |
| Frei rotierbare Bindungen | 15 | (1) ACD | |
| H Akzeptoren | 11 | (1) ACD | |
| H Spender | 7 | (1) ACD | |
| H Spender/Akzeptorsum | 18 | (1) ACD | |
| logp | 4,206 ± 0,767 | Temperatur: 25 ° C. | (1) ACD |
| Molekulargewicht | 601.69 |
(1) Berechnet mithilfe der Software V11.02 (ACD/LABS) (ACD/LABS) (© 1994-2023 ACD/Labs)
Struktur verwandt
| Eigentum | Wert | Zustand | Quelle |
| Polare Oberfläche | 172 A2 | (1) ACD | |
(1) Berechnet mithilfe der Software V11.02 (ACD/LABS) (ACD/LABS) (© 1994-2023 ACD/Labs)
Thermal
| Eigentum | Wert | Zustand | Quelle |
| Siedepunkt | 914,2 ± 65,0 ° C. | Drücken Sie: 760 Torr | (1) ACD |
| Enthalpie der Verdampfung | 139,25 ± 3,0 kJ/mol | Drücken Sie: 760 Torr | (1) ACD |
| Flammpunkt | 506,7 ± 34,3 ° C. | (1) ACD |
(1) Berechnet mithilfe der Software V11.02 (ACD/LABS) (ACD/LABS) (© 1994-2023 ACD/Labs)
Spektren verfügbar
1H NMR
13c nmr
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