![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 Sawirka](https://cdn.globalso.com/nvchem/L-Ornithinamide.jpg)
L-Ornithinamide, L-valyl-N5-(aminocarbonyl) -N- [4- (hydroxymethyl) phenyl] - (9CI, ACI) H335, H319, H315, H302
| Qalabka Jidhka ee Furaha ah | Qiimaha | Xaalad |
| Miisaanka Molecular | 379.45 | - |
| Barta karkarinta (La saadaaliyay) | 715.0± 60.0 °C | Riix: 760 Torr |
| Cufnaanta (La saadaaliyay) | 1.243±0.06 g/cm3 | Heerkulka: 20 °C; Riix: 760 Torr |
| pKa (La saadaaliyay) | 13.75±0.46 | Heerkulka ugu acidic badan: 25 °C |
Dhoola-cadaynta Canonical 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)CCCC(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
Furaha InChi
VEGGTWZUZGZKHY-GJZGRULSA-N
4 Magacyo kale oo Walaxdan ah
L-Valyl-N5-(aminocarbonyl)-N-[4- (hydroxymethyl) phenyl] -L-ornithinamide (ACI); 1: PN: WO2023061224 BOGGA: 34 isku xigxig sheeganaya; Valine-Citrulline-p- Aminobenzylcarbamate; Vc-PAB
| Guryaha la heli karo |
| Nafley |
| Kiimiko |
| Cufnaanta |
| Lipinski |
| Qaab-dhismeedka La Xiriira |
| kulaylka |
Nafley
| Hanti | Qiimaha | Xaalad | Xigasho |
| Qodobka bioconcentration | 1.0 | pH 1; Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 1.0 | pH 2; Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 1.0 | pH 3; Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 1.0 | pH 4; Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 1.0 | pH 5; Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 1.0 | pH 6; Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 1.0 | pH 7; Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 1.0 | pH 8; Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 1.0 | pH 9; Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 1.0 | pH 10; Heerkulka: 25 °C | (1) ACD |
(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Kiimiko
| Hanti | Qiimaha | Xaalad | Xigasho |
| Koc | 1.0 | pH 1; Heerkulka: 25 °C | (1) ACD |
| Koc | 1.0 | pH 2; Heerkulka: 25 °C | (1) ACD |
| Koc | 1.0 | pH 3; Heerkulka: 25 °C | (1) ACD |
| Koc | 1.0 | pH 4; Heerkulka: 25 °C | (1) ACD |
| Koc | 1.0 | pH 5; Heerkulka: 25 °C | (1) ACD |
| Koc | 1.0 | pH 6; Heerkulka: 25 °C | (1) ACD |
| Koc | 1.0 | pH 7; Heerkulka: 25 °C | (1) ACD |
| Koc | 6.00 | pH 8; Heerkulka: 25 °C | (1) ACD |
| Koc | 13.2 | pH 9; Heerkulka: 25 °C | (1) ACD |
| Koc | 15.0 | pH 10; Heerkulka: 25 °C | (1) ACD |
| Hanti | Qiimaha | Xaalad | Xigasho |
| logD | -3.53 | pH 1; Heerkulka: 25 °C | (1) ACD |
| logD | -3.46 | pH 2; Heerkulka: 25 °C | (1) ACD |
| logD | -3.45 | pH 3; Heerkulka: 25 °C | (1) ACD |
| logD | -3.42 | pH 4; Heerkulka: 25 °C | (1) ACD |
| logD | -3.20 | pH 5; Heerkulka: 25 °C | (1) ACD |
| logD | -2.50 | pH 6; Heerkulka: 25 °C | (1) ACD |
| logD | -1.57 | pH 7; Heerkulka: 25 °C | (1) ACD |
| logD | -0.76 | pH 8; Heerkulka: 25 °C | (1) ACD |
| logD | -0.42 | pH 9; Heerkulka: 25 °C | (1) ACD |
| logD | -0.36 | pH 10; Heerkulka: 25 °C | (1) ACD |
| logP | -0.354±0.602 | Heerkulka: 25 °C | (1) ACD |
| Solubility Mass Intrinsic | 1.6 g/L | Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 1000 g/L | pH 1; Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 1000 g/L | pH 2; Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 1000 g/L | pH 3; Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 1000 g/L | pH 4; Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 1000 g/L | pH 5; Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 220 g/L | pH 6; Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 26 g/L | pH 7; Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 4.2 g/L | pH 8; Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 1.9 g/L | pH 9; Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 1.6 g/L | pH 10; Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 1.6 g/L | Biyaha aan la daboolin pH 9.89; Heerkulka: 25 °C | (1) ACD |
| Solubility Intrinsic Molar | 4.2 x 10-3 mol/L | Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 2.64 mol/L | pH 1; Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 2.64 mol/L | pH 2; Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 2.64 mol/L | pH 3; Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 2.64 mol/L | pH 4; Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 2.64 mol/L | pH 5; Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 0.59 mol/L | pH 6; Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 0.069 mol/L | pH 7; Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 0.011 mol/L | pH 8; Heerkulka: 25 °C | (1) ACD |
| Hanti | Qiimaha | Xaalad | Xigasho |
| Solubility Molar | 4.9 x 10-3 mol/L | pH 9; Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 4.3 x 10-3 mol/L | pH 10; Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 4.3 x 10-3 mol/L | Biyaha aan la daboolin pH 9.89; Heerkulka: 25 °C | (1) ACD |
| Miisaanka Molecular | 379.45 | ||
| pKa | 13.75±0.46 | Heerkulka ugu acidic badan: 25 °C | (1) ACD |
| pKa | 8.19±0.33 | Heerkulka ugu badan ee aasaasiga ah: 25 °C | (1) ACD |
| Cadaadis uumiga | 1.86 x 10-21 Torr | Heerkulka: 25 °C | (1) ACD |
(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Cufnaanta
| Hanti | Qiimaha | Xaalad | Xigasho |
| Cufnaanta | 1.243±0.06 g/cm3 | Heerkulka: 20 °C; Riix: 760 Torr | (1) ACD |
| Mugga Molar | 305.2 ± 3.0 cm3 / mol | Heerkulka: 20 °C; Riix: 760 Torr | (1) ACD |
(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Hanti | Qiimaha | Xaalad | Xigasho |
| Boondhigyo si xor ah loo wareejin karo | 12 | (1) ACD | |
| H Aqbalayaasha | 9 | (1) ACD | |
| H Deeq-bixiyayaasha | 8 | (1) ACD | |
| Ku-deeqaha/Aqbalka Wadarta | 17 | (1) ACD | |
| logP | -0.354±0.602 | Heerkulka: 25 °C | (1) ACD |
| Miisaanka Molecular | 379.45 |
(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Qaab-dhismeedka La Xiriira
| Hanti | Qiimaha | Xaalad | Xigasho |
| Aagga dusha sare ee Polar | 160 A2 | (1) ACD | |
(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
kulaylka
| Hanti | Qiimaha | Xaalad | Xigasho |
| Barta Karsan | 715.0± 60.0 °C | Riix: 760 Torr | (1) ACD |
| Enthalpy of uumiga | 109.72± 3.0 kJ/mol | Riix: 760 Torr | (1) ACD |
| Barta Fiishka | 386.2± 32.9 °C | (1) ACD |
(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra waa la heli karaa
1H NMR
13C NMR
| Koodhka | Bayaanka Khatarta | Xigasho |
| H335 | Waxa laga yaabaa inay keento cuncun xagga neefsiga ah | Wakaalladda Kiimikada Yurub (ECHA) Kala-saarid&Alaab-qoritaan - Kala-saar Ogeysiis iyo calaamadeyn - ogaysiisyada ugu badan, Kala-soocidda Wakaaladda Kiimikada Yurub |
| H319 | Waxay keentaa cuncun indhaha oo halis ah | Wakaalladda Kiimikada Yurub (ECHA) Kala-saarid&Alaab-qoritaan - Kala-saar Ogeysiis iyo calaamadeyn - ogaysiisyada ugu badan, Kala-soocidda Wakaaladda Kiimikada Yurub |
| H315 | Waxay sababtaa cuncun maqaarka | Wakaalladda Kiimikada Yurub (ECHA) Kala-saarid&Alaab-qoritaan - Kala-saar Ogeysiis iyo calaamadeyn - ogaysiisyada ugu badan, Kala-soocidda Wakaaladda Kiimikada Yurub |
| H302 | Waxyeelo haddii la liqo | Wakaalladda Kiimikada Yurub (ECHA) Kala-saarid&Alaab-qoritaan - Kala-saar Ogeysiis iyo calaamadeyn - ogaysiisyada ugu badan, Kala-soocidda Wakaaladda Kiimikada Yurub |
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