![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 Whakaahua Whakaatu](https://cdn.globalso.com/nvchem/L-Ornithinamide.jpg)
L-Ornithinamide, L-valyl-N5-(aminocarbonyl) -N-[4-(hydroxymethyl) phenyl]- (9CI, ACI) H335, H319, H315, H302
| Nga Ahuatanga Tinana Matua | Uara | Tikanga |
| Taumaha rāpoi | 379.45 | - |
| Ira Kohua (I Matapaetia) | 715.0±60.0 °C | Perehi: 760 Torr |
| Kiato (I Matapaetia) | 1.243±0.06 g/cm3 | Te Mahana: 20 °C; Perehi: 760 Torr |
| pKa (I matapaetia) | 13.75±0.46 | Te Mahana Waiwawa Nui: 25 °C |
Nga Ataata Canonical O=C(N)NCCCC(NC(=O)C(N)C(C)C)C(=O)NC1=CC=C(C=C1)CO
NGĀ ATA ISOMER [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/h5-8,11,14-15,24H,3-4,9-10,19 H2,1-2H3,(H,22,25)(H,23,26)(H3,20,21,27)/t14-,15-/m0/s1
Kī InChI
VEGGTWZUZGZKHY-GJZGRUSLSA-N
4 Ētahi atu Ingoa mō tēnei Matū
L-Valyl-N5-(aminocarbonyl)-N-[4-(hydroxymethyl)phenyl]-L-ornithinamide (ACI); 1: PN: WO2023061224 PAGE: 34 kereme raupapa; Valine-Citrulline-p-Aminobenzylcarbamate; Vc-PAB
| Nga rawa e waatea ana |
| Koiora |
| Te matū |
| Kiato |
| Lipinski |
| Hanganga e Pa ana |
| Ngawha |
Koiora
| Taonga | Uara | Tikanga | Puna |
| Tauwehe Bioconcentration | 1.0 | pH 1; Te Mahana: 25 °C | (1) ACD |
| Tauwehe Bioconcentration | 1.0 | pH 2; Te Mahana: 25 °C | (1) ACD |
| Tauwehe Bioconcentration | 1.0 | pH 3; Te Mahana: 25 °C | (1) ACD |
| Tauwehe Bioconcentration | 1.0 | pH 4; Te Mahana: 25 °C | (1) ACD |
| Tauwehe Bioconcentration | 1.0 | pH 5; Te Mahana: 25 °C | (1) ACD |
| Tauwehe Bioconcentration | 1.0 | pH 6; Te Mahana: 25 °C | (1) ACD |
| Tauwehe Bioconcentration | 1.0 | pH 7; Te Mahana: 25 °C | (1) ACD |
| Tauwehe Bioconcentration | 1.0 | pH 8; Te Mahana: 25 °C | (1) ACD |
| Tauwehe Bioconcentration | 1.0 | pH 9; Te Mahana: 25 °C | (1) ACD |
| Tauwehe Bioconcentration | 1.0 | pH 10; Te Mahana: 25 °C | (1) ACD |
(1) I tatauhia ma te whakamahi i te Whanaketanga Matū Ake (ACD/Labs) Pūmanawa V11.02 (© 1994-2023 ACD/Labs)
Te matū
| Taonga | Uara | Tikanga | Puna |
| Koc | 1.0 | pH 1; Te Mahana: 25 °C | (1) ACD |
| Koc | 1.0 | pH 2; Te Mahana: 25 °C | (1) ACD |
| Koc | 1.0 | pH 3; Te Mahana: 25 °C | (1) ACD |
| Koc | 1.0 | pH 4; Te Mahana: 25 °C | (1) ACD |
| Koc | 1.0 | pH 5; Te Mahana: 25 °C | (1) ACD |
| Koc | 1.0 | pH 6; Te Mahana: 25 °C | (1) ACD |
| Koc | 1.0 | pH 7; Te Mahana: 25 °C | (1) ACD |
| Koc | 6.00 | pH 8; Te Mahana: 25 °C | (1) ACD |
| Koc | 13.2 | pH 9; Te Mahana: 25 °C | (1) ACD |
| Koc | 15.0 | pH 10; Te Mahana: 25 °C | (1) ACD |
| Taonga | Uara | Tikanga | Puna |
| rangitakiD | -3.53 | pH 1; Te Mahana: 25 °C | (1) ACD |
| rangitakiD | -3.46 | pH 2; Te Mahana: 25 °C | (1) ACD |
| rangitakiD | -3.45 | pH 3; Te Mahana: 25 °C | (1) ACD |
| rangitakiD | -3.42 | pH 4; Te Mahana: 25 °C | (1) ACD |
| rangitakiD | -3.20 | pH 5; Te Mahana: 25 °C | (1) ACD |
| rangitakiD | -2.50 | pH 6; Te Mahana: 25 °C | (1) ACD |
| rangitakiD | -1.57 | pH 7; Te Mahana: 25 °C | (1) ACD |
| rangitakiD | -0.76 | pH 8; Te Mahana: 25 °C | (1) ACD |
| rangitakiD | -0.42 | pH 9; Te Mahana: 25 °C | (1) ACD |
| rangitakiD | -0.36 | pH 10; Te Mahana: 25 °C | (1) ACD |
| rangitakiP | -0.354±0.602 | Te Mahana: 25 °C | (1) ACD |
| Te Wairewa o roto | 1.6 g/L | Te Mahana: 25 °C | (1) ACD |
| Wairewa Papatipu | 1000 g/L | pH 1; Te Mahana: 25 °C | (1) ACD |
| Wairewa Papatipu | 1000 g/L | pH 2; Te Mahana: 25 °C | (1) ACD |
| Wairewa Papatipu | 1000 g/L | pH 3; Te Mahana: 25 °C | (1) ACD |
| Wairewa Papatipu | 1000 g/L | pH 4; Te Mahana: 25 °C | (1) ACD |
| Wairewa Papatipu | 1000 g/L | pH 5; Te Mahana: 25 °C | (1) ACD |
| Wairewa Papatipu | 220 g/L | pH 6; Te Mahana: 25 °C | (1) ACD |
| Wairewa Papatipu | 26 g/L | pH 7; Te Mahana: 25 °C | (1) ACD |
| Wairewa Papatipu | 4.2 g/L | pH 8; Te Mahana: 25 °C | (1) ACD |
| Wairewa Papatipu | 1.9 g/L | pH 9; Te Mahana: 25 °C | (1) ACD |
| Wairewa Papatipu | 1.6 g/L | pH 10; Te Mahana: 25 °C | (1) ACD |
| Wairewa Papatipu | 1.6 g/L | Te Wai Whakakore pH 9.89; Te Mahana: 25 °C | (1) ACD |
| Molar Intrinsic Solubility | 4.2 x 10-3 mol/L | Te Mahana: 25 °C | (1) ACD |
| Molar Solubility | 2.64 mol/L | pH 1; Te Mahana: 25 °C | (1) ACD |
| Molar Solubility | 2.64 mol/L | pH 2; Te Mahana: 25 °C | (1) ACD |
| Molar Solubility | 2.64 mol/L | pH 3; Te Mahana: 25 °C | (1) ACD |
| Molar Solubility | 2.64 mol/L | pH 4; Te Mahana: 25 °C | (1) ACD |
| Molar Solubility | 2.64 mol/L | pH 5; Te Mahana: 25 °C | (1) ACD |
| Molar Solubility | 0.59 mol/L | pH 6; Te Mahana: 25 °C | (1) ACD |
| Molar Solubility | 0.069 mol/L | pH 7; Te Mahana: 25 °C | (1) ACD |
| Molar Solubility | 0.011 mol/L | pH 8; Te Mahana: 25 °C | (1) ACD |
| Taonga | Uara | Tikanga | Puna |
| Molar Solubility | 4.9 x 10-3 mol/L | pH 9; Te Mahana: 25 °C | (1) ACD |
| Molar Solubility | 4.3 x 10-3 mol/L | pH 10; Te Mahana: 25 °C | (1) ACD |
| Molar Solubility | 4.3 x 10-3 mol/L | Te Wai Whakakore pH 9.89; Te Mahana: 25 °C | (1) ACD |
| Taumaha rāpoi | 379.45 | ||
| pKa | 13.75±0.46 | Te Mahana Waiwawa Nui: 25 °C | (1) ACD |
| pKa | 8.19±0.33 | Te Mahana Matua: 25 °C | (1) ACD |
| Pehenga Kohu | 1.86 x 10-21 Torr | Te Mahana: 25 °C | (1) ACD |
(1) I tatauhia ma te whakamahi i te Whanaketanga Matū Ake (ACD/Labs) Pūmanawa V11.02 (© 1994-2023 ACD/Labs)
Kiato
| Taonga | Uara | Tikanga | Puna |
| Kiato | 1.243±0.06 g/cm3 | Te Mahana: 20 °C; Perehi: 760 Torr | (1) ACD |
| Rōrahi Moara | 305.2±3.0 cm3/mol | Te Mahana: 20 °C; Perehi: 760 Torr | (1) ACD |
(1) I tatauhia ma te whakamahi i te Whanaketanga Matū Ake (ACD/Labs) Pūmanawa V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Taonga | Uara | Tikanga | Puna |
| Nga here e taea te huri noa | 12 | (1) ACD | |
| H Nga Kaiwhiwhi | 9 | (1) ACD | |
| H Nga Kaituku | 8 | (1) ACD | |
| H Kaikoha/Kaiwhina moni | 17 | (1) ACD | |
| rangitakiP | -0.354±0.602 | Te Mahana: 25 °C | (1) ACD |
| Taumaha rāpoi | 379.45 |
(1) I tatauhia ma te whakamahi i te Whanaketanga Matū Ake (ACD/Labs) Pūmanawa V11.02 (© 1994-2023 ACD/Labs)
Hanganga e Pa ana
| Taonga | Uara | Tikanga | Puna |
| Rohe Mata Polar | 160 A2 | (1) ACD | |
(1) I tatauhia ma te whakamahi i te Whanaketanga Matū Ake (ACD/Labs) Pūmanawa V11.02 (© 1994-2023 ACD/Labs)
Ngawha
| Taonga | Uara | Tikanga | Puna |
| Kohuatanga | 715.0±60.0 °C | Perehi: 760 Torr | (1) ACD |
| Enthalpy of Vaporization | 109.72±3.0 kJ/mol | Perehi: 760 Torr | (1) ACD |
| Tohu Kohiko | 386.2±32.9 °C | (1) ACD |
(1) I tatauhia ma te whakamahi i te Whanaketanga Matū Ake (ACD/Labs) Pūmanawa V11.02 (© 1994-2023 ACD/Labs)
Kei te waatea te Spectra
1H NMR
13C NMR
| Waehere | Tauākī mōrearea | Puna |
| H335 | Ka raru pea te manawa | European Chemical Agency (ECHA) Classification & Labeling Inventory - Whakam |
| H319 | Ka nui te mamae o te kanohi | European Chemical Agency (ECHA) Classification & Labeling Inventory - Whakam |
| H315 | Ka whakaparahako te kiri | European Chemical Agency (ECHA) Classification & Labeling Inventory - Whakam |
| H302 | He kino ki te horomia | European Chemical Agency (ECHA) Classification & Labeling Inventory - Whakam |
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