L-ornithinamide, l-valyl-n5- (aminocarbonyl) -n- [4- (hydroxyymethyl) - (9CI, ACI) H335, H319, H315, H302, H302, H302
| Properties fisik Key | Regane | Kondisi |
| Bobot molekuler | 379.45 | - |
| Titik Giling (diprediksi) | 715.0 ± 60,0 ° C | Pencet: 760 torr |
| Kapadhetan (diprediksi) | 1.243 ± 0,06 g / cm3 | Temp: 20 ° C; Pencet: 760 torr |
| Pka (diprediksi) | 13,75 ± 0.46 | Temp paling asam: 25 ° C |
Mesem kanonik o = c (n) ncccc (nc (= o) c (n) c (c) c) c (= o) nc1 = cc = c1) co
Mesem isomeric [C @@ h] (NC (C @ H] (c) c) = c (co) c = c1) = o) cccnc (n) = o
INCI
Kopi = 1s / c18h29n5o4 / c1-11 (2) 15 (19) 23-14 (25-2) 6-15,21-18,17-3-3) H2,1-2h3, (H, 22.25) (H, 23,26) (H3,20,21,27) / t14-, 15- / / m0 / s1
Kunci inci
Veggtwuzgzkhy-gjzgruslsa-n
4 jeneng liya kanggo zat iki
L-valyl-N5- (aminocoronl) -N- [4- (hydroxyymethyl) phenyl] -l-ornithinamide (ACI); 1: PN: WO2023061224 Halaman: 34 urutan; Valine-Citruline-p-Aminobenzylcarbamate; VC-PAB
| Properties kasedhiya |
| Biologis |
| Kimia |
| Kapadhetan |
| Lipinski |
| Struktur sing gegandhengan |
| Termal |
Biologis
| Properti | Regane | Kondisi | Sumber |
| Faktor biokentrasi | 1.0 | PH 1; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 1.0 | PH 2; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 1.0 | PH 3; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 1.0 | pH 4; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 1.0 | pH 5; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 1.0 | pH 6; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 1.0 | pH 7; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 1.0 | PH 8; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 1.0 | PH 9; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 1.0 | PH 10; Temp: 25 ° C | (1) ACD |
(1) Diitung nggunakake piranti lunak kimia majeng (ACD / Labs) v11.02 (© 1994-2023 ACD / Lab)
Kimia
| Properti | Regane | Kondisi | Sumber |
| Koc | 1.0 | PH 1; Temp: 25 ° C | (1) ACD |
| Koc | 1.0 | PH 2; Temp: 25 ° C | (1) ACD |
| Koc | 1.0 | PH 3; Temp: 25 ° C | (1) ACD |
| Koc | 1.0 | pH 4; Temp: 25 ° C | (1) ACD |
| Koc | 1.0 | pH 5; Temp: 25 ° C | (1) ACD |
| Koc | 1.0 | pH 6; Temp: 25 ° C | (1) ACD |
| Koc | 1.0 | pH 7; Temp: 25 ° C | (1) ACD |
| Koc | 6.00 | PH 8; Temp: 25 ° C | (1) ACD |
| Koc | 13.2 | PH 9; Temp: 25 ° C | (1) ACD |
| Koc | 15.0 | PH 10; Temp: 25 ° C | (1) ACD |
| Properti | Regane | Kondisi | Sumber |
| logd | -3.53 | PH 1; Temp: 25 ° C | (1) ACD |
| logd | -3.46 | PH 2; Temp: 25 ° C | (1) ACD |
| logd | -3.45 | PH 3; Temp: 25 ° C | (1) ACD |
| logd | -3.42 | pH 4; Temp: 25 ° C | (1) ACD |
| logd | -3.20 | pH 5; Temp: 25 ° C | (1) ACD |
| logd | -2.50 | pH 6; Temp: 25 ° C | (1) ACD |
| logd | -1.57 | pH 7; Temp: 25 ° C | (1) ACD |
| logd | -0.76 | PH 8; Temp: 25 ° C | (1) ACD |
| logd | -0.42 | PH 9; Temp: 25 ° C | (1) ACD |
| logd | -0.36 | PH 10; Temp: 25 ° C | (1) ACD |
| logp | -0.354 ± 0,Al2 | Temp: 25 ° C | (1) ACD |
| Kelarutan Kelainan Intrinsik Massa | 1.6 g / l | Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 1000 g / l | PH 1; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 1000 g / l | PH 2; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 1000 g / l | PH 3; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 1000 g / l | pH 4; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 1000 g / l | pH 5; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 220 g / l | pH 6; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 26 g / l | pH 7; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 4.2 g / l | PH 8; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 1.9 g / l | PH 9; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 1.6 g / l | PH 10; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 1.6 g / l | Banyu banyu sing ora diluncurake 9.89; Temp: 25 ° C | (1) ACD |
| Kelarutan Kelaresan Inttrinsik Molar | 4.2 x 10-3 mol / l | Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 2.64 mol / l | PH 1; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 2.64 mol / l | PH 2; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 2.64 mol / l | PH 3; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 2.64 mol / l | pH 4; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 2.64 mol / l | pH 5; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 0.59 mol / l | pH 6; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 0,069 mol / l | pH 7; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 0,011 mol / l | PH 8; Temp: 25 ° C | (1) ACD |
| Properti | Regane | Kondisi | Sumber |
| Kelarutan molar | 4.9 x 10-3 mol / l | PH 9; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 4.3 x 10-3 mol / l | PH 10; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 4.3 x 10-3 mol / l | Banyu banyu sing ora diluncurake 9.89; Temp: 25 ° C | (1) ACD |
| Bobot molekuler | 379.45 | ||
| PKA | 13,75 ± 0.46 | Temp paling asam: 25 ° C | (1) ACD |
| PKA | 8.19 ± 0,33 | Umume Temp: 25 ° C | (1) ACD |
| Meksa uap | 1.86 x 10-21 Torr | Temp: 25 ° C | (1) ACD |
(1) Diitung nggunakake piranti lunak kimia majeng (ACD / Labs) v11.02 (© 1994-2023 ACD / Lab)
Kapadhetan
| Properti | Regane | Kondisi | Sumber |
| Kapadhetan | 1.243 ± 0,06 g / cm3 | Temp: 20 ° C; Pencet: 760 torr | (1) ACD |
| Jilid Molar | 305,2 ± 3.0 cm3 / mol | Temp: 20 ° C; Pencet: 760 torr | (1) ACD |
(1) Diitung nggunakake piranti lunak kimia majeng (ACD / Labs) v11.02 (© 1994-2023 ACD / Lab)
Lipinski
| Properti | Regane | Kondisi | Sumber |
| Obligasi kanthi bebas | 12 | (1) ACD | |
| H Nampa | 9 | (1) ACD | |
| H donor | 8 | (1) ACD | |
| H Donor / Sumrah Panampa | 17 | (1) ACD | |
| logp | -0.354 ± 0,Al2 | Temp: 25 ° C | (1) ACD |
| Bobot molekuler | 379.45 |
(1) Diitung nggunakake piranti lunak kimia majeng (ACD / Labs) v11.02 (© 1994-2023 ACD / Lab)
Struktur sing gegandhengan
| Properti | Regane | Kondisi | Sumber |
| Area permukaan polar | 160 a2 | (1) ACD | |
(1) Diitung nggunakake piranti lunak kimia majeng (ACD / Labs) v11.02 (© 1994-2023 ACD / Lab)
Termal
| Properti | Regane | Kondisi | Sumber |
| Titik Giling | 715.0 ± 60,0 ° C | Pencet: 760 torr | (1) ACD |
| Enthalpy saka Vaporization | 109.72 ± 3.0 kJ / mol | Pencet: 760 torr | (1) ACD |
| Sligan Point | 386,2 ± 32.9 ° C | (1) ACD |
(1) Diitung nggunakake piranti lunak kimia majeng (ACD / Labs) v11.02 (© 1994-2023 ACD / Lab)
Spektrum kasedhiya
1h nmr
13c NMR
| Kode | Statement bahaya | Sumber |
| H335 | Bisa nyebabake gangguan ambegan | Badan Kimia Eropa (Echa) Klasifikasi & Inventori Label - Klasifikasi Dalan - Label - Kabar Umum Umum, Kelas Kimia Eropa (Label Cahaya |
| H319 | Nyebabake gangguan mripat serius | Badan Kimia Eropa (Echa) Klasifikasi & Inventori Label - Klasifikasi Dalan - Label - Kabar Umum Umum, Kelas Kimia Eropa (Label Cahaya |
| H315 | Nyebabake gangguan kulit | Badan Kimia Eropa (Echa) Klasifikasi & Inventori Label - Klasifikasi Dalan - Label - Kabar Umum Umum, Kelas Kimia Eropa (Label Cahaya |
| H302 | Mbebayani yen ditelan | Badan Kimia Eropa (Echa) Klasifikasi & Inventori Label - Klasifikasi Dalan - Label - Kabar Umum Umum, Kelas Kimia Eropa (Label Cahaya |
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