![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 Chithunzi Chowonetsedwa](https://cdn.globalso.com/nvchem/L-Ornithinamide.jpg)
L-Ornithinamide, L-valyl-N5-(aminocarbonyl)-N-[4-(hydroxymethyl) phenyl]- (9CI, ACI) H335, H319, H315, H302
| Zofunika Zathupi | Mtengo | Mkhalidwe |
| Kulemera kwa Maselo | 379.45 | - |
| Boiling Point (Zonenedweratu) | 715.0±60.0 °C | Press: 760 Torr |
| Kachulukidwe (Zonenedweratu) | 1.243±0.06 g/cm3 | Kutentha: 20 ° C;Press: 760 Torr |
| pKa (Zonenedweratu) | 13.75±0.46 | Kutentha Kwambiri kwa Acid: 25 ° C |
Canonical AMAmwetulira O=C(N)NCCCC(NC(=O)C(N)C(C)C)C(=O)NC1=CC=C(C=C1)CO
Isomeric SMILES [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)27)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
InChi Key
VEGGTWZUZGZKHY-GJZGRUSLSA-N
4 Maina ena a chinthu ichi
L-Valyl-N5-(aminocarbonyl)-N- [4- (hydroxymethyl) phenyl] -L-ornithinamide (ACI);1: PN: WO2023061224 TSAMBA: 34 zotsatizana;Valine-Citrulline-p- aminobenzylcarbamate;Vc-PAB
| Katundu zilipo |
| Zachilengedwe |
| Chemical |
| Kuchulukana |
| Lipinski |
| Zogwirizana ndi Kapangidwe |
| Kutentha |
Zachilengedwe
| Katundu | Mtengo | Mkhalidwe | Gwero |
| Bioconcentration Factor | 1.0 | pH 1;Kutentha: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 2;Kutentha: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 3;Kutentha: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 4;Kutentha: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 5;Kutentha: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 6;Kutentha: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 7;Kutentha: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 8;Kutentha: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 9;Kutentha: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 10;Kutentha: 25 ° C | (1) ACD |
(1) Owerengedwa pogwiritsa ntchito Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Chemical
| Katundu | Mtengo | Mkhalidwe | Gwero |
| Koc | 1.0 | pH 1;Kutentha: 25 ° C | (1) ACD |
| Koc | 1.0 | pH 2;Kutentha: 25 ° C | (1) ACD |
| Koc | 1.0 | pH 3;Kutentha: 25 ° C | (1) ACD |
| Koc | 1.0 | pH 4;Kutentha: 25 ° C | (1) ACD |
| Koc | 1.0 | pH 5;Kutentha: 25 ° C | (1) ACD |
| Koc | 1.0 | pH 6;Kutentha: 25 ° C | (1) ACD |
| Koc | 1.0 | pH 7;Kutentha: 25 ° C | (1) ACD |
| Koc | 6.00 | pH 8;Kutentha: 25 ° C | (1) ACD |
| Koc | 13.2 | pH 9;Kutentha: 25 ° C | (1) ACD |
| Koc | 15.0 | pH 10;Kutentha: 25 ° C | (1) ACD |
| Katundu | Mtengo | Mkhalidwe | Gwero |
| logD | -3.53 | pH 1;Kutentha: 25 ° C | (1) ACD |
| logD | -3.46 | pH 2;Kutentha: 25 ° C | (1) ACD |
| logD | -3.45 | pH 3;Kutentha: 25 ° C | (1) ACD |
| logD | -3.42 | pH 4;Kutentha: 25 ° C | (1) ACD |
| logD | -3.20 | pH 5;Kutentha: 25 ° C | (1) ACD |
| logD | -2.50 | pH 6;Kutentha: 25 ° C | (1) ACD |
| logD | -1.57 | pH 7;Kutentha: 25 ° C | (1) ACD |
| logD | -0.76 | pH 8;Kutentha: 25 ° C | (1) ACD |
| logD | -0.42 | pH 9;Kutentha: 25 ° C | (1) ACD |
| logD | -0.36 | pH 10;Kutentha: 25 ° C | (1) ACD |
| logP | -0.354±0.602 | Kutentha: 25 ° C | (1) ACD |
| Mass Intrinsic Solubility | 1.6g/L | Kutentha: 25 ° C | (1) ACD |
| Misa Solubility | 1000 g / L | pH 1;Kutentha: 25 ° C | (1) ACD |
| Misa Solubility | 1000 g / L | pH 2;Kutentha: 25 ° C | (1) ACD |
| Misa Solubility | 1000 g / L | pH 3;Kutentha: 25 ° C | (1) ACD |
| Misa Solubility | 1000 g / L | pH 4;Kutentha: 25 ° C | (1) ACD |
| Misa Solubility | 1000 g / L | pH 5;Kutentha: 25 ° C | (1) ACD |
| Misa Solubility | 220 g / L | pH 6;Kutentha: 25 ° C | (1) ACD |
| Misa Solubility | 26g/l | pH 7;Kutentha: 25 ° C | (1) ACD |
| Misa Solubility | 4.2g/L | pH 8;Kutentha: 25 ° C | (1) ACD |
| Misa Solubility | 1.9g/L | pH 9;Kutentha: 25 ° C | (1) ACD |
| Misa Solubility | 1.6g/L | pH 10;Kutentha: 25 ° C | (1) ACD |
| Misa Solubility | 1.6g/L | Madzi Osasunthika pH 9.89;Kutentha: 25 ° C | (1) ACD |
| Molar Intrinsic Solubility | 4.2 x 10-3 mol / L | Kutentha: 25 ° C | (1) ACD |
| Molar Solubility | 2.64 mol / L | pH 1;Kutentha: 25 ° C | (1) ACD |
| Molar Solubility | 2.64 mol / L | pH 2;Kutentha: 25 ° C | (1) ACD |
| Molar Solubility | 2.64 mol / L | pH 3;Kutentha: 25 ° C | (1) ACD |
| Molar Solubility | 2.64 mol / L | pH 4;Kutentha: 25 ° C | (1) ACD |
| Molar Solubility | 2.64 mol / L | pH 5;Kutentha: 25 ° C | (1) ACD |
| Molar Solubility | 0.59 mol / L | pH 6;Kutentha: 25 ° C | (1) ACD |
| Molar Solubility | 0.069 mol / L | pH 7;Kutentha: 25 ° C | (1) ACD |
| Molar Solubility | 0.011 mol / L | pH 8;Kutentha: 25 ° C | (1) ACD |
| Katundu | Mtengo | Mkhalidwe | Gwero |
| Molar Solubility | 4.9 x 10-3 mol / L | pH 9;Kutentha: 25 ° C | (1) ACD |
| Molar Solubility | 4.3 x 10-3 mol / L | pH 10;Kutentha: 25 ° C | (1) ACD |
| Molar Solubility | 4.3 x 10-3 mol / L | Madzi Osasunthika pH 9.89;Kutentha: 25 ° C | (1) ACD |
| Kulemera kwa Maselo | 379.45 | ||
| pKa | 13.75±0.46 | Kutentha Kwambiri kwa Acid: 25 ° C | (1) ACD |
| pKa | 8.19±0.33 | Kutentha Kwambiri Kwambiri: 25 °C | (1) ACD |
| Kuthamanga kwa Vapor | 1.86 x 10-21 torr | Kutentha: 25 ° C | (1) ACD |
(1) Owerengedwa pogwiritsa ntchito Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Kuchulukana
| Katundu | Mtengo | Mkhalidwe | Gwero |
| Kuchulukana | 1.243±0.06 g/cm3 | Kutentha: 20 ° C;Press: 760 Torr | (1) ACD |
| Molar Volume | 305.2±3.0cm3/mol | Kutentha: 20 ° C;Press: 760 Torr | (1) ACD |
(1) Owerengedwa pogwiritsa ntchito Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Katundu | Mtengo | Mkhalidwe | Gwero |
| Ma Bond Osinthasintha Mwaulere | 12 | (1) ACD | |
| H Olandira | 9 | (1) ACD | |
| H Opereka | 8 | (1) ACD | |
| H Chiwerengero cha Wopereka / Wolandira | 17 | (1) ACD | |
| logP | -0.354±0.602 | Kutentha: 25 ° C | (1) ACD |
| Kulemera kwa Maselo | 379.45 |
(1) Owerengedwa pogwiritsa ntchito Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Zogwirizana ndi Kapangidwe
| Katundu | Mtengo | Mkhalidwe | Gwero |
| Malo a Polar Surface | 160 a2 | (1) ACD | |
(1) Owerengedwa pogwiritsa ntchito Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Kutentha
| Katundu | Mtengo | Mkhalidwe | Gwero |
| Boiling Point | 715.0±60.0 °C | Press: 760 Torr | (1) ACD |
| Enthalpy ya vaporization | 109.72±3.0 kJ/mol | Press: 760 Torr | (1) ACD |
| Pophulikira | 386.2±32.9 °C | (1) ACD |
(1) Owerengedwa pogwiritsa ntchito Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra ilipo
1H NMR
13C NMR
| Kodi | Chidziwitso Chowopsa | Gwero |
| H335 | Zitha kuyambitsa kupsa mtima | Gulu la European Chemical Agency (ECHA) Classification&Labelling Inventory - Gulu lodziwitsidwa ndi zilembo - zidziwitso zodziwika bwino, Gulu la European Chemical Agency (ECHA) Gulu & Zolemba Zolemba - Gulu lodziwitsidwa ndi zilembo - zidziwitso zazikulu kwambiri |
| H319 | Zimayambitsa kupsa mtima kwakukulu | Gulu la European Chemical Agency (ECHA) Classification&Labelling Inventory - Gulu lodziwitsidwa ndi zilembo - zidziwitso zodziwika bwino, Gulu la European Chemical Agency (ECHA) Gulu & Zolemba Zolemba - Gulu lodziwitsidwa ndi zilembo - zidziwitso zazikulu kwambiri |
| H315 | Zimayambitsa kuyabwa pakhungu | Gulu la European Chemical Agency (ECHA) Classification&Labelling Inventory - Gulu lodziwitsidwa ndi zilembo - zidziwitso zodziwika bwino, Gulu la European Chemical Agency (ECHA) Gulu & Zolemba Zolemba - Gulu lodziwitsidwa ndi zilembo - zidziwitso zazikulu kwambiri |
| H302 | Zowopsa ngati zitamezedwa | Gulu la European Chemical Agency (ECHA) Classification&Labelling Inventory - Gulu lodziwitsidwa ndi zilembo - zidziwitso zodziwika bwino, Gulu la European Chemical Agency (ECHA) Gulu & Zolemba Zolemba - Gulu lodziwitsidwa ndi zilembo - zidziwitso zazikulu kwambiri |
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