![C33H39N5O6 L-ornithinamide, N-[(9H-fluoren-9-ylmethoxy) carbonyl] -l-valil-n5- (aminocarbonyl) -n- [4- (hydroxymethyl) Phenyl]-(9ci, ali)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C33H39N5O6 l-l-whithinamide, n-[(9H-fluoren-9-ylmethoxy) carbonyl] -l-valyl-n5- (aminocarbonyl) -n- [4- (hydroxymethyl) fenil]-(9ci, ali)](https://cdn.globalso.com/nvchem/C33H39N5O6-L-Ornithinamide.jpg)
C33H39N5O6 L-ornithinamide, N-[(9H-fluoren-9-ylmethoxy) carbonyl] -l-valil-n5- (aminocarbonyl) -n- [4- (hydroxymethyl) Phenyl]-(9ci, ali)
| Sifat fizikal utama | Nilai | Keadaan |
| Berat molekul | 601.69 | - |
| Titik mendidih (diramalkan) | 914.2 ± 65.0 ° C. | Tekan: 760 Torr |
| Ketumpatan (diramalkan) | 1.276 ± 0.06 g/cm3 | Temp: 20 ° C; Tekan: 760 Torr |
| PKA (diramalkan) | 10.63 ± 0.46 | Tempatan yang paling berasid: 25 ° C |
Smiles Canonical O = C (OCC1C = 2C = CC = CC2C = 3C = CC = CC31) NC (C (= O) NC (C (= O) NC4 = CC = C (C = C4) CCCNC (= O) N) C) C
Smiles isomerik C (OC (N [C@H] (C (N [C@H] (C (NC1 = CC = C (CO) C = C1) = O) CCCNC (N) = O) = O) [C@H]
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) 32 (34) 42) 30 (40) 36-22-15-13-21 (18-39) 14-16-22/h3-6,8-11,13-16,27-29,39h, 7,12,17-19h2,1-2H3,
5,42)/T28-, 29-/m0/s1
Kunci Inchi
Dalmazhdnfcdrp-vmprefpwsa-n
1 nama lain untuk bahan ini
N-[(9H-fluoren-9-ylmethoxy) carbonyl] -L-valil-n5- (aminocarbonyl) -n- [4- (hydroxymethyl) phenyl] -L-ordinamide (ACI)
Spektrum tersedia
1H NMR
13C NMR
| Hartanah tersedia |
| Biologi |
| Kimia |
| Ketumpatan |
| Lipinski |
| Struktur berkaitan |
| Haba |
Biologi
| Harta | Nilai | Keadaan | Sumber |
| Faktor Biokonsentrasi | 809 | pH 1; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 912 | pH 2; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 923 | pH 3; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 924 | pH 4; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 924 | pH 5; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 924 | pH 6; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 924 | pH 7; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 922 | pH 8; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 903 | pH 9; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 750 | pH 10; Temp: 25 ° C. | (1) ACD |
(1) Dikira Menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Kimia
| Harta | Nilai | Keadaan | Sumber |
| 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 |
| Harta | Nilai | Keadaan | Sumber |
| 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 |
| Kelarutan intrinsik massa | 1.7 x 10-4 g/l | Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 2.0 x 10-4 g/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 1.7 x 10-4 g/l | pH 2; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 1.7 x 10-4 g/l | pH 3; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 1.7 x 10-4 g/l | pH 4; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 1.7 x 10-4 g/l | pH 5; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 1.7 x 10-4 g/l | pH 6; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 1.7 x 10-4 g/l | pH 7; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 1.7 x 10-4 g/l | pH 8; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 1.7 x 10-4 g/l | pH 9; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 2.1 x 10-4 g/l | pH 10; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 1.7 x 10-4 g/l | Air yang tidak disengajakan pH 7.00; Temp: 25 ° C. | (1) ACD |
| Kelarutan intrinsik molar | 2.9 x 10-7 mol/l | Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 3.3 x 10-7 mol/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 2.9 x 10-7 mol/l | pH 2; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 2.9 x 10-7 mol/l | pH 3; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 2.9 x 10-7 mol/l | pH 4; Temp: 25 ° C. | (1) ACD |
| Harta | Nilai | Keadaan | Sumber |
| Kelarutan molar | 2.9 x 10-7 mol/l | pH 5; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 2.9 x 10-7 mol/l | pH 6; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 2.9 x 10-7 mol/l | pH 7; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 2.9 x 10-7 mol/l | pH 8; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 2.9 x 10-7 mol/l | pH 9; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 3.5 x 10-7 mol/l | pH 10; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 2.9 x 10-7 mol/l | Air yang tidak disengajakan pH 7.00; Temp: 25 ° C. | (1) ACD |
| Berat molekul | 601.69 | ||
| PKA | 10.63 ± 0.46 | Tempatan yang paling berasid: 25 ° C | (1) ACD |
| PKA | 0.13 ± 0.50 | Tempatan paling asas: 25 ° C | (1) ACD |
| Tekanan wap | 0 Torr | Temp: 25 ° C. | (1) ACD |
(1) Dikira Menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Ketumpatan
| Harta | Nilai | Keadaan | Sumber |
| Ketumpatan | 1.276 ± 0.06 g/cm3 | Temp: 20 ° C; Tekan: 760 Torr | (1) ACD |
| Jumlah molar | 471.2 ± 3.0 cm3/mol | Temp: 20 ° C; Tekan: 760 Torr | (1) ACD |
(1) Dikira Menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Harta | Nilai | Keadaan | Sumber |
| Ikatan bebas berputar | 15 | (1) ACD | |
| H penerima | 11 | (1) ACD | |
| H penderma | 7 | (1) ACD | |
| H penderma/penerima jumlah | 18 | (1) ACD | |
| logp | 4.206 ± 0.767 | Temp: 25 ° C. | (1) ACD |
| Berat molekul | 601.69 |
(1) Dikira Menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Struktur berkaitan
| Harta | Nilai | Keadaan | Sumber |
| Kawasan permukaan kutub | 172 a2 | (1) ACD | |
(1) Dikira Menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Haba
| Harta | Nilai | Keadaan | Sumber |
| Titik mendidih | 914.2 ± 65.0 ° C. | Tekan: 760 Torr | (1) ACD |
| Entalpi pengewapan | 139.25 ± 3.0 kJ/mol | Tekan: 760 Torr | (1) ACD |
| Titik kilat | 506.7 ± 34.3 ° C. | (1) ACD |
(1) Dikira Menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spektrum tersedia
1H NMR
13C NMR
![C31H32N2O8 Uridine, 5'-o- [bis (4-methoxyphenyl) phenylmethyl] -2'-o-metil- (9c I, ACI)](https://cdn.globalso.com/nvchem/C31H32N2O8-Uridine-300x300.jpg)
![C20H31NO5 asid heptanoik, 3- hydroxy-5-methyl-4-[(phenylmethoxy) carbonyl] amino]-, 1,1-dimetiletil ester, [3r- (3r*, 4s*, 5s*)]-(9ci) H301](https://cdn.globalso.com/nvchem/C20H31NO5-Heptanoic-acid-300x300.jpg)
![L-ornithinamide, l-valil-n5- (aminocarbonyl) -n- [4- (hydroxymethyl) phenyl]-(9ci, aci) H335, H319, H315, H302](https://cdn.globalso.com/nvchem/L-Ornithinamide-300x300.jpg)
![C44H49N5O7SI adenosine, n-benzoyl-5'-o- [bis (4-methoxyphenyl) phenylmethyl] -2'- O-[(1,1-dimetiletil) dimethylsilyl]-(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)](https://cdn.globalso.com/nvchem/C10H12N2O5-6H-Furo-300x300.jpg)