![C33H39N5O6 L-Ornithinamide, N-[(9H-fluoren-9-ylmethoxy)karbonil]-L-valyl-N5- (aminocarbonyl)-N-[4-(hydroxymethyl)phenyl]- (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C33H39N5O6 L-Ornithinamide, N-[(9H-fluoren-9-ylmethoxy)karbonil]-L-valyl-N5- (aminocarbonyl)-N-[4-(hydroxymethyl)phenyl]- (9CI, ACI) Gambar Unggulan](https://cdn.globalso.com/nvchem/C33H39N5O6-L-Ornithinamide.jpg)
C33H39N5O6 L-Ornithinamide, N-[(9H-fluoren-9-ylmethoxy)karbonil]-L-valyl-N5- (aminocarbonyl)-N-[4-(hydroxymethyl)phenyl]- (9CI, ACI)
| Properti Fisik Kunci | Nilai | kahanan |
| Bobot Molekul | 601.69 | - |
| Titik didih (diprediksi) | 914,2±65,0 °C | Pencet: 760 Torr |
| Kapadhetan (Prediksi) | 1,276±0,06 g/cm3 | Suhu: 20 °C; Pencet: 760 Torr |
| pKa (Prediksi) | 10,63±0,46 | Suhu Paling Asam: 25 °C |
SMILES Canonical 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
Isomerik 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
IngChI
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
Kunci Inchi
DALMAZHDNFCDRP-VMPREFPWSA-N
1 Jeneng Liyane kanggo Zat iki
N-[(9H-Fluoren-9-ylmethoxy)karbonil]-L-valyl-N5-(aminocarbonyl)-N-[4-(hidroksimetil)fenil]-L-ornithinamide (ACI)
Spectra kasedhiya
1H NMR
13C NMR
| Properti kasedhiya |
| biologi |
| Kimia |
| Kapadhetan |
| Lipinski |
| Struktur Gegandhengan |
| Thermal |
biologi
| Properti | Nilai | kahanan | Sumber |
| Faktor biokonsentrasi | 809 | pH 1; Suhu: 25 °C | (1) ACD |
| Faktor biokonsentrasi | 912 | pH 2; Suhu: 25 °C | (1) ACD |
| Faktor biokonsentrasi | 923 | pH 3; Suhu: 25 °C | (1) ACD |
| Faktor biokonsentrasi | 924 | pH 4; Suhu: 25 °C | (1) ACD |
| Faktor biokonsentrasi | 924 | pH 5; Suhu: 25 °C | (1) ACD |
| Faktor biokonsentrasi | 924 | pH 6; Suhu: 25 °C | (1) ACD |
| Faktor biokonsentrasi | 924 | pH 7; Suhu: 25 °C | (1) ACD |
| Faktor biokonsentrasi | 922 | pH 8; Suhu: 25 °C | (1) ACD |
| Faktor biokonsentrasi | 903 | pH 9; Suhu: 25 °C | (1) ACD |
| Faktor biokonsentrasi | 750 | pH 10; Suhu: 25 °C | (1) ACD |
(1) Dietung nggunakake Piranti Lunak Pengembangan Kimia Lanjut (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Kimia
| Properti | Nilai | kahanan | Sumber |
| Koc | 4040 | pH 1; Suhu: 25 °C | (1) ACD |
| Koc | 4550 | pH 2; Suhu: 25 °C | (1) ACD |
| Koc | 4610 | pH 3; Suhu: 25 °C | (1) ACD |
| Koc | 4620 | pH 4; Suhu: 25 °C | (1) ACD |
| Koc | 4620 | pH 5; Suhu: 25 °C | (1) ACD |
| Koc | 4620 | pH 6; Suhu: 25 °C | (1) ACD |
| Properti | Nilai | kahanan | Sumber |
| Koc | 4620 | pH 7; Suhu: 25 °C | (1) ACD |
| Koc | 4610 | pH 8; Suhu: 25 °C | (1) ACD |
| Koc | 4510 | pH 9; Suhu: 25 °C | (1) ACD |
| Koc | 3740 | pH 10; Suhu: 25 °C | (1) ACD |
| logD | 4.15 | pH 1; Suhu: 25 °C | (1) ACD |
| logD | 4.20 | pH 2; Suhu: 25 °C | (1) ACD |
| logD | 4.20 | pH 3; Suhu: 25 °C | (1) ACD |
| logD | 4.20 | pH 4; Suhu: 25 °C | (1) ACD |
| logD | 4.21 | pH 5; Suhu: 25 °C | (1) ACD |
| logD | 4.21 | pH 6; Suhu: 25 °C | (1) ACD |
| logD | 4.20 | pH 7; Suhu: 25 °C | (1) ACD |
| logD | 4.20 | pH 8; Suhu: 25 °C | (1) ACD |
| logD | 4.19 | pH 9; Suhu: 25 °C | (1) ACD |
| logD | 4.11 | pH 10; Suhu: 25 °C | (1) ACD |
| logP | 4,206±0,767 | Suhu: 25 °C | (1) ACD |
| Kelarutan Intrinsik Massa | 1,7 x 10-4 g/L | Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 2,0 x 10-4 g/L | pH 1; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 1,7 x 10-4 g/L | pH 2; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 1,7 x 10-4 g/L | pH 3; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 1,7 x 10-4 g/L | pH 4; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 1,7 x 10-4 g/L | pH 5; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 1,7 x 10-4 g/L | pH 6; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 1,7 x 10-4 g/L | pH 7; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 1,7 x 10-4 g/L | pH 8; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 1,7 x 10-4 g/L | pH 9; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 2,1 x 10-4 g/L | pH 10; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 1,7 x 10-4 g/L | Banyu Unbuffered pH 7,00; Suhu: 25 °C | (1) ACD |
| Kelarutan Intrinsik Molar | 2,9 x 10-7 mol/L | Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 3,3 x 10-7 mol/L | pH 1; Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 2,9 x 10-7 mol/L | pH 2; Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 2,9 x 10-7 mol/L | pH 3; Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 2,9 x 10-7 mol/L | pH 4; Suhu: 25 °C | (1) ACD |
| Properti | Nilai | kahanan | Sumber |
| Kelarutan molar | 2,9 x 10-7 mol/L | pH 5; Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 2,9 x 10-7 mol/L | pH 6; Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 2,9 x 10-7 mol/L | pH 7; Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 2,9 x 10-7 mol/L | pH 8; Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 2,9 x 10-7 mol/L | pH 9; Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 3,5 x 10-7 mol/L | pH 10; Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 2,9 x 10-7 mol/L | Banyu Unbuffered pH 7,00; Suhu: 25 °C | (1) ACD |
| Bobot Molekul | 601.69 | ||
| pKa | 10,63±0,46 | Suhu Paling Asam: 25 °C | (1) ACD |
| pKa | 0,13±0,50 | Suhu Paling Dasar: 25 °C | (1) ACD |
| Tekanan uap | 0 Torr | Suhu: 25 °C | (1) ACD |
(1) Dietung nggunakake Piranti Lunak Pengembangan Kimia Lanjut (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Kapadhetan
| Properti | Nilai | kahanan | Sumber |
| Kapadhetan | 1,276±0,06 g/cm3 | Suhu: 20 °C; Pencet: 760 Torr | (1) ACD |
| Volume Molar | 471.2±3.0 cm3/mol | Suhu: 20 °C; Pencet: 760 Torr | (1) ACD |
(1) Dietung nggunakake Piranti Lunak Pengembangan Kimia Lanjut (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Properti | Nilai | kahanan | Sumber |
| Obligasi sing bisa diputer kanthi bebas | 15 | (1) ACD | |
| H. Akseptor | 11 | (1) ACD | |
| H. Donor | 7 | (1) ACD | |
| H Jumlah Donor / Akseptor | 18 | (1) ACD | |
| logP | 4,206±0,767 | Suhu: 25 °C | (1) ACD |
| Bobot Molekul | 601.69 |
(1) Dietung nggunakake Piranti Lunak Pengembangan Kimia Lanjut (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Struktur Gegandhengan
| Properti | Nilai | kahanan | Sumber |
| Area lumahing kutub | 172 A2 | (1) ACD | |
(1) Dietung nggunakake Piranti Lunak Pengembangan Kimia Lanjut (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Thermal
| Properti | Nilai | kahanan | Sumber |
| Titik didih | 914,2±65,0 °C | Pencet: 760 Torr | (1) ACD |
| Entalpi Penguapan | 139,25±3,0 kJ/mol | Pencet: 760 Torr | (1) ACD |
| Titik Flash | 506,7±34,3 °C | (1) ACD |
(1) Dietung nggunakake Piranti Lunak Pengembangan Kimia Lanjut (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spectra kasedhiya
1H NMR
13C NMR
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