![L-Ornithinamide, L-valyl-N5-(aminocarbonyl)-N-[4-(hydroxymethyl) phenyl]- (9CI, ACI) H335, H319, H315, H302](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![L-Ornithinamide, L-valyl-N5-(aminocarbonyl)-N-[4-(hydroxymethyl) phenyl]- (9CI, ACI) H335, H319, H315, H302 Imej Pilihan](https://cdn.globalso.com/nvchem/L-Ornithinamide.jpg)
L-Ornithinamide, L-valyl-N5-(aminocarbonyl)-N-[4-(hydroxymethyl) phenyl]- (9CI, ACI) H335, H319, H315, H302
| Sifat Fizikal Utama | Nilai | keadaan |
| Berat Molekul | 379.45 | - |
| Takat Didih (Diramalkan) | 715.0±60.0 °C | Akhbar: 760 Torr |
| Ketumpatan (Diramalkan) | 1.243±0.06 g/cm3 | Suhu: 20 °C; Akhbar: 760 Torr |
| pKa (Diramalkan) | 13.75±0.46 | Suhu Paling Berasid: 25 °C |
SENYUMAN Canonical O=C(N)NCCCCC(NC(=O)C(N)C(C)C)C(=O)NC1=CC=C(C=C1)CO
SENYUMAN Isomerik [C@@H](NC([C@H](C(C)C)N)=O)(C(NC1=CC=C(CO)C=C1)=O)CCCNC(N)=O
InChI
InChI=1S/C18H29N5O4/c1-11(2)15(19)17(26)23-14(4-3-9-21-18(20)2 7)16(25)22-13-7-5-12(10-24)6-8-13/j5-8,11,14-15,24H,3-4,9-10,19 H2,1-2H3,(H,22,25)(H,23,26)(H3,20,21,27)/t14-,15-/m0/s1
Kunci InChI
VEGGTWZUZGZKHY-GJZGRUSLSA-N
4 Nama Lain untuk Bahan ini
L-Valyl-N5-(aminokarbonil)-N-[4-(hydroxymethyl)phenyl]-L-ornithinamide (ACI); 1: PN: WO2023061224 MUKA SURAT: 34 urutan yang dituntut; Valine-Citrulline-p-Aminobenzylcarbamate; Vc-PAB
| Hartanah tersedia |
| Biologi |
| bahan kimia |
| Ketumpatan |
| Lipinski |
| Berkaitan Struktur |
| terma |
Biologi
| Harta benda | Nilai | keadaan | Sumber |
| Faktor Biopekatan | 1.0 | pH 1; Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 1.0 | pH 2; Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 1.0 | pH 3; Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 1.0 | pH 4; Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 1.0 | pH 5; Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 1.0 | pH 6; Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 1.0 | pH 7; Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 1.0 | pH 8; Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 1.0 | pH 9; Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 1.0 | pH 10; Suhu: 25 °C | (1) ACD |
(1) Dikira menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
bahan kimia
| Harta benda | Nilai | keadaan | Sumber |
| Koc | 1.0 | pH 1; Suhu: 25 °C | (1) ACD |
| Koc | 1.0 | pH 2; Suhu: 25 °C | (1) ACD |
| Koc | 1.0 | pH 3; Suhu: 25 °C | (1) ACD |
| Koc | 1.0 | pH 4; Suhu: 25 °C | (1) ACD |
| Koc | 1.0 | pH 5; Suhu: 25 °C | (1) ACD |
| Koc | 1.0 | pH 6; Suhu: 25 °C | (1) ACD |
| Koc | 1.0 | pH 7; Suhu: 25 °C | (1) ACD |
| Koc | 6.00 | pH 8; Suhu: 25 °C | (1) ACD |
| Koc | 13.2 | pH 9; Suhu: 25 °C | (1) ACD |
| Koc | 15.0 | pH 10; Suhu: 25 °C | (1) ACD |
| Harta benda | Nilai | keadaan | Sumber |
| logD | -3.53 | pH 1; Suhu: 25 °C | (1) ACD |
| logD | -3.46 | pH 2; Suhu: 25 °C | (1) ACD |
| logD | -3.45 | pH 3; Suhu: 25 °C | (1) ACD |
| logD | -3.42 | pH 4; Suhu: 25 °C | (1) ACD |
| logD | -3.20 | pH 5; Suhu: 25 °C | (1) ACD |
| logD | -2.50 | pH 6; Suhu: 25 °C | (1) ACD |
| logD | -1.57 | pH 7; Suhu: 25 °C | (1) ACD |
| logD | -0.76 | pH 8; Suhu: 25 °C | (1) ACD |
| logD | -0.42 | pH 9; Suhu: 25 °C | (1) ACD |
| logD | -0.36 | pH 10; Suhu: 25 °C | (1) ACD |
| logP | -0.354±0.602 | Suhu: 25 °C | (1) ACD |
| Keterlarutan Intrinsik Jisim | 1.6 g/L | Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 1000 g/L | pH 1; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 1000 g/L | pH 2; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 1000 g/L | pH 3; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 1000 g/L | pH 4; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 1000 g/L | pH 5; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 220 g/L | pH 6; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 26 g/L | pH 7; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 4.2 g/L | pH 8; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 1.9 g/L | pH 9; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 1.6 g/L | pH 10; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 1.6 g/L | Air Tidak Penampan pH 9.89; Suhu: 25 °C | (1) ACD |
| Keterlarutan Intrinsik Molar | 4.2 x 10-3 mol/L | Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 2.64 mol/L | pH 1; Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 2.64 mol/L | pH 2; Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 2.64 mol/L | pH 3; Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 2.64 mol/L | pH 4; Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 2.64 mol/L | pH 5; Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 0.59 mol/L | pH 6; Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 0.069 mol/L | pH 7; Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 0.011 mol/L | pH 8; Suhu: 25 °C | (1) ACD |
| Harta benda | Nilai | keadaan | Sumber |
| Keterlarutan Molar | 4.9 x 10-3 mol/L | pH 9; Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 4.3 x 10-3 mol/L | pH 10; Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 4.3 x 10-3 mol/L | Air Tidak Penampan pH 9.89; Suhu: 25 °C | (1) ACD |
| Berat Molekul | 379.45 | ||
| pKa | 13.75±0.46 | Suhu Paling Berasid: 25 °C | (1) ACD |
| pKa | 8.19±0.33 | Suhu Paling Asas: 25 °C | (1) ACD |
| Tekanan Wap | 1.86 x 10-21 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 | 1.243±0.06 g/cm3 | Suhu: 20 °C; Akhbar: 760 Torr | (1) ACD |
| Isipadu Molar | 305.2±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 | 12 | (1) ACD | |
| H Penerima | 9 | (1) ACD | |
| H Penderma | 8 | (1) ACD | |
| H Jumlah Penderma/Penerima | 17 | (1) ACD | |
| logP | -0.354±0.602 | Suhu: 25 °C | (1) ACD |
| Berat Molekul | 379.45 |
(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 | 160 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 | 715.0±60.0 °C | Akhbar: 760 Torr | (1) ACD |
| Entalpi Pengewapan | 109.72±3.0 kJ/mol | Akhbar: 760 Torr | (1) ACD |
| Titik Kilat | 386.2±32.9 °C | (1) ACD |
(1) Dikira menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spektrum tersedia
1H NMR
13C NMR
| Kod | Kenyataan Bahaya | Sumber |
| H335 | Boleh menyebabkan kerengsaan pernafasan | Inventori Klasifikasi&Pelabelan Agensi Kimia Eropah (ECHA) - Pengelasan dan pelabelan diberitahu - pemberitahuan paling biasa, Inventori Pengelasan&Pelabelan Agensi Kimia Eropah (ECHA) - Pengelasan dan pelabelan diberitahu - pemberitahuan paling serius |
| H319 | Menyebabkan kerengsaan mata yang serius | Inventori Klasifikasi&Pelabelan Agensi Kimia Eropah (ECHA) - Pengelasan dan pelabelan diberitahu - pemberitahuan paling biasa, Inventori Pengelasan&Pelabelan Agensi Kimia Eropah (ECHA) - Pengelasan dan pelabelan diberitahu - pemberitahuan paling serius |
| H315 | Menyebabkan kerengsaan kulit | Inventori Klasifikasi&Pelabelan Agensi Kimia Eropah (ECHA) - Pengelasan dan pelabelan diberitahu - pemberitahuan paling biasa, Inventori Pengelasan&Pelabelan Agensi Kimia Eropah (ECHA) - Pengelasan dan pelabelan diberitahu - pemberitahuan paling serius |
| H302 | Memudaratkan jika tertelan | Inventori Klasifikasi&Pelabelan Agensi Kimia Eropah (ECHA) - Pengelasan dan pelabelan diberitahu - pemberitahuan paling biasa, Inventori Pengelasan&Pelabelan Agensi Kimia Eropah (ECHA) - Pengelasan dan pelabelan diberitahu - pemberitahuan paling serius |
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