![L-Ornithinamide, L-valyl-N5-(aminokarbonyl)-N-[4-(hydroxymethyl)fenyl]- (9CI, ACI) H335, H319, H315, H302](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![L-Ornithinamide, L-valyl-N5-(aminokarbonyl)-N-[4-(hydroxymethyl)fenyl]- (9CI, ACI) H335, H319, H315, H302 Ofbylding mei útsûndering](https://cdn.globalso.com/nvchem/L-Ornithinamide.jpg)
L-Ornithinamide, L-valyl-N5-(aminokarbonyl)-N-[4-(hydroxymethyl)fenyl]- (9CI, ACI) H335, H319, H315, H302
| Wichtige fysike eigenskippen | Wearde | Betingst |
| Molekulêr gewicht | 379.45 | - |
| Siedpunt (foarsein) | 715,0 ± 60,0 °C | Druk: 760 Torr |
| Dichtheid (foarsein) | 1,243 ± 0,06 g/cm3 | Temp: 20 °C; Druk: 760 Torr |
| pKa (Foarsein) | 13,75±0,46 | Soerste temperatuer: 25 °C |
Kanonike SMILES O=C(N)NCCCC(NC(=O)C(N)C(C)C)C(=O)NC1=CC=C(C=C1)CO
Isomere SMILES [C@@H](NC([C@H](C(C)C)N)=O)(C(NC1=CC=C(CO)C=C1)=O)CCCNC(N)=O
YnChI
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
InChI-kaai
VEGGTWZUZGZKHY-GJZGRUSLSA-N
4 Oare nammen foar dizze stof
L-Valyl-N5-(aminokarbonyl)-N-[4-(hydroxymethyl)phenyl]-L-ornithinamide (ACI); 1: PN: WO2023061224 PAGE: 34 opeaske sekwinsje; Valine-Citrulline-p-Aminobenzylkarbamaat; Vc-PAB
| Beskikbere eigenskippen |
| Biologysk |
| Gemysk |
| Dichtheid |
| Lipinski |
| Struktuer relatearre |
| Termysk |
Biologysk
| Besit | Wearde | Betingst | Boarne |
| Biokonsintraasjefaktor | 1.0 | pH 1; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 1.0 | pH 2; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 1.0 | pH 3; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 1.0 | pH 4; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 1.0 | pH 5; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 1.0 | pH 6; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 1.0 | pH 7; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 1.0 | pH 8; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 1.0 | pH 9; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 1.0 | pH 10; Temperatuer: 25 °C | (1) ACD |
(1) Berekkene mei Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Gemysk
| Besit | Wearde | Betingst | Boarne |
| Koc | 1.0 | pH 1; Temperatuer: 25 °C | (1) ACD |
| Koc | 1.0 | pH 2; Temperatuer: 25 °C | (1) ACD |
| Koc | 1.0 | pH 3; Temperatuer: 25 °C | (1) ACD |
| Koc | 1.0 | pH 4; Temperatuer: 25 °C | (1) ACD |
| Koc | 1.0 | pH 5; Temperatuer: 25 °C | (1) ACD |
| Koc | 1.0 | pH 6; Temperatuer: 25 °C | (1) ACD |
| Koc | 1.0 | pH 7; Temperatuer: 25 °C | (1) ACD |
| Koc | 6.00 | pH 8; Temperatuer: 25 °C | (1) ACD |
| Koc | 13.2 | pH 9; Temperatuer: 25 °C | (1) ACD |
| Koc | 15.0 | pH 10; Temperatuer: 25 °C | (1) ACD |
| Besit | Wearde | Betingst | Boarne |
| logD | -3.53 | pH 1; Temperatuer: 25 °C | (1) ACD |
| logD | -3.46 | pH 2; Temperatuer: 25 °C | (1) ACD |
| logD | -3.45 | pH 3; Temperatuer: 25 °C | (1) ACD |
| logD | -3.42 | pH 4; Temperatuer: 25 °C | (1) ACD |
| logD | -3.20 | pH 5; Temperatuer: 25 °C | (1) ACD |
| logD | -2.50 | pH 6; Temperatuer: 25 °C | (1) ACD |
| logD | -1.57 | pH 7; Temperatuer: 25 °C | (1) ACD |
| logD | -0.76 | pH 8; Temperatuer: 25 °C | (1) ACD |
| logD | -0.42 | pH 9; Temperatuer: 25 °C | (1) ACD |
| logD | -0.36 | pH 10; Temperatuer: 25 °C | (1) ACD |
| logP | -0.354±0.602 | Temperatuer: 25 °C | (1) ACD |
| Massa yntrinsike oplosberens | 1,6 g/L | Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 1000 g/L | pH 1; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 1000 g/L | pH 2; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 1000 g/L | pH 3; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 1000 g/L | pH 4; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 1000 g/L | pH 5; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 220 g/L | pH 6; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 26 g/L | pH 7; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 4,2 g/L | pH 8; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 1,9 g/L | pH 9; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 1,6 g/L | pH 10; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 1,6 g/L | Unbufferd wetter pH 9.89; Temp: 25 °C | (1) ACD |
| Molêre yntrinsike oplosberens | 4,2 x 10-3 mol/L | Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 2,64 mol/L | pH 1; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 2,64 mol/L | pH 2; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 2,64 mol/L | pH 3; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 2,64 mol/L | pH 4; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 2,64 mol/L | pH 5; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 0,59 mol/L | pH 6; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 0,069 mol/L | pH 7; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 0,011 mol/L | pH 8; Temperatuer: 25 °C | (1) ACD |
| Besit | Wearde | Betingst | Boarne |
| Molêre oplosberens | 4,9 x 10-3 mol/L | pH 9; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 4,3 x 10-3 mol/L | pH 10; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 4,3 x 10-3 mol/L | Unbufferd wetter pH 9.89; Temp: 25 °C | (1) ACD |
| Molekulêr gewicht | 379.45 | ||
| pKa | 13,75±0,46 | Soerste temperatuer: 25 °C | (1) ACD |
| pKa | 8.19±0.33 | Meast basistemperatuer: 25 °C | (1) ACD |
| Dampdruk | 1,86 x 10-21 Torr | Temperatuer: 25 °C | (1) ACD |
(1) Berekkene mei Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Dichtheid
| Besit | Wearde | Betingst | Boarne |
| Dichtheid | 1,243 ± 0,06 g/cm3 | Temp: 20 °C; Druk: 760 Torr | (1) ACD |
| Molêr folume | 305,2±3,0 cm3/mol | Temp: 20 °C; Druk: 760 Torr | (1) ACD |
(1) Berekkene mei Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Besit | Wearde | Betingst | Boarne |
| Frij rotearbere obligaasjes | 12 | (1) ACD | |
| H-akseptors | 9 | (1) ACD | |
| H Donateurs | 8 | (1) ACD | |
| H Donor/Akseptor Som | 17 | (1) ACD | |
| logP | -0.354±0.602 | Temperatuer: 25 °C | (1) ACD |
| Molekulêr gewicht | 379.45 |
(1) Berekkene mei Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Struktuer relatearre
| Besit | Wearde | Betingst | Boarne |
| Poaloerflak | 160 A2 | (1) ACD | |
(1) Berekkene mei Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Termysk
| Besit | Wearde | Betingst | Boarne |
| Siedpunt | 715,0 ± 60,0 °C | Druk: 760 Torr | (1) ACD |
| Enthalpy fan ferdamping | 109,72 ± 3,0 kJ/mol | Druk: 760 Torr | (1) ACD |
| Flitspunt | 386,2±32,9 °C | (1) ACD |
(1) Berekkene mei Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spektra beskikber
1H NMR
13C NMR
| Koade | Gefaarferklearring | Boarne |
| H335 | Kin yrritaasje fan 'e luchtwegen feroarsaakje | Ynventaris Klassifikaasje en Etikettering fan it Europeesk Gemysk Agintskip (ECHA) - Notifisearre klassifikaasje en etikettering - meast foarkommende notifikaasjes, Ynventaris Klassifikaasje en Etikettering fan it Europeesk Gemysk Agintskip (ECHA) - Notifisearre klassifikaasje en etikettering - meast serieuze notifikaasjes |
| H319 | Veroarsaket slimme eachirritaasje | Ynventaris Klassifikaasje en Etikettering fan it Europeesk Gemysk Agintskip (ECHA) - Notifisearre klassifikaasje en etikettering - meast foarkommende notifikaasjes, Ynventaris Klassifikaasje en Etikettering fan it Europeesk Gemysk Agintskip (ECHA) - Notifisearre klassifikaasje en etikettering - meast serieuze notifikaasjes |
| H315 | Feroarsaket hûdirritaasje | Ynventaris Klassifikaasje en Etikettering fan it Europeesk Gemysk Agintskip (ECHA) - Notifisearre klassifikaasje en etikettering - meast foarkommende notifikaasjes, Ynventaris Klassifikaasje en Etikettering fan it Europeesk Gemysk Agintskip (ECHA) - Notifisearre klassifikaasje en etikettering - meast serieuze notifikaasjes |
| H302 | Skealik as it ynslokt wurdt | Ynventaris Klassifikaasje en Etikettering fan it Europeesk Gemysk Agintskip (ECHA) - Notifisearre klassifikaasje en etikettering - meast foarkommende notifikaasjes, Ynventaris Klassifikaasje en Etikettering fan it Europeesk Gemysk Agintskip (ECHA) - Notifisearre klassifikaasje en etikettering - meast serieuze notifikaasjes |
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