![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)carbonyl]-L-valyl-N5- (aminocarbonyl)-N-[4-(hydroxymethyl)phenyl]- (9CI, ACI) Imej Pilihan](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)
| Sifat Fizikal Utama | Nilai | keadaan |
| Berat Molekul | 601.69 | - |
| Takat Didih (Diramalkan) | 914.2±65.0 °C | Akhbar: 760 Torr |
| Ketumpatan (Diramalkan) | 1.276±0.06 g/cm3 | Suhu: 20 °C; Akhbar: 760 Torr |
| pKa (Diramalkan) | 10.63±0.46 | Suhu Paling Berasid: 25 °C |
SENYUMAN 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
SENYUMAN Isomerik 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/j3-6,8-11,13-16,20,27-29,39H,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 Nama Lain untuk Bahan ini
N-[(9H-Fluoren-9-ylmethoxy)karbonil]-L-valyl-N5-(aminocarbonyl)-N-[4-(hydroxymethyl)phenyl]-L-ornithinamide (ACI)
Spectra tersedia
1H NMR
13C NMR
| Hartanah tersedia |
| Biologi |
| kimia |
| Ketumpatan |
| Lipinski |
| Berkaitan Struktur |
| terma |
Biologi
| Harta benda | Nilai | keadaan | Sumber |
| Faktor Biopekatan | 809 | pH 1; Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 912 | pH 2; Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 923 | pH 3; Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 924 | pH 4; Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 924 | pH 5; Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 924 | pH 6; Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 924 | pH 7; Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 922 | pH 8; Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 903 | pH 9; Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 750 | pH 10; Suhu: 25 °C | (1) ACD |
(1) Dikira menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
kimia
| Harta benda | Nilai | keadaan | 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 |
| Harta benda | Nilai | keadaan | 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 |
| Keterlarutan Intrinsik Jisim | 1.7 x 10-4 g/L | Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 2.0 x 10-4 g/L | pH 1; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 1.7 x 10-4 g/L | pH 2; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 1.7 x 10-4 g/L | pH 3; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 1.7 x 10-4 g/L | pH 4; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 1.7 x 10-4 g/L | pH 5; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 1.7 x 10-4 g/L | pH 6; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 1.7 x 10-4 g/L | pH 7; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 1.7 x 10-4 g/L | pH 8; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 1.7 x 10-4 g/L | pH 9; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 2.1 x 10-4 g/L | pH 10; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 1.7 x 10-4 g/L | Air Tidak Penampan pH 7.00; Suhu: 25 °C | (1) ACD |
| Keterlarutan Intrinsik Molar | 2.9 x 10-7 mol/L | Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 3.3 x 10-7 mol/L | pH 1; Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 2.9 x 10-7 mol/L | pH 2; Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 2.9 x 10-7 mol/L | pH 3; Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 2.9 x 10-7 mol/L | pH 4; Suhu: 25 °C | (1) ACD |
| Harta benda | Nilai | keadaan | Sumber |
| Keterlarutan Molar | 2.9 x 10-7 mol/L | pH 5; Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 2.9 x 10-7 mol/L | pH 6; Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 2.9 x 10-7 mol/L | pH 7; Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 2.9 x 10-7 mol/L | pH 8; Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 2.9 x 10-7 mol/L | pH 9; Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 3.5 x 10-7 mol/L | pH 10; Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 2.9 x 10-7 mol/L | Air Tidak Penampan pH 7.00; Suhu: 25 °C | (1) ACD |
| Berat Molekul | 601.69 | ||
| pKa | 10.63±0.46 | Suhu Paling Berasid: 25 °C | (1) ACD |
| pKa | 0.13±0.50 | Suhu Paling Asas: 25 °C | (1) ACD |
| Tekanan Wap | 0 Torr | Suhu: 25 °C | (1) ACD |
(1) Dikira menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Ketumpatan
| Harta benda | Nilai | keadaan | Sumber |
| Ketumpatan | 1.276±0.06 g/cm3 | Suhu: 20 °C; Akhbar: 760 Torr | (1) ACD |
| Isipadu Molar | 471.2±3.0 cm3/mol | Suhu: 20 °C; Akhbar: 760 Torr | (1) ACD |
(1) Dikira menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Harta benda | Nilai | keadaan | Sumber |
| Bon Boleh Putar Bebas | 15 | (1) ACD | |
| H Penerima | 11 | (1) ACD | |
| H Penderma | 7 | (1) ACD | |
| H Jumlah Penderma/Penerima | 18 | (1) ACD | |
| logP | 4.206±0.767 | Suhu: 25 °C | (1) ACD |
| Berat Molekul | 601.69 |
(1) Dikira menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Berkaitan Struktur
| Harta benda | 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)
terma
| Harta benda | Nilai | keadaan | Sumber |
| Takat Didih | 914.2±65.0 °C | Akhbar: 760 Torr | (1) ACD |
| Entalpi Pengewapan | 139.25±3.0 kJ/mol | Akhbar: 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)
Spectra tersedia
1H NMR
13C NMR
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