![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 Setšoantšo se Featured](https://cdn.globalso.com/nvchem/L-Ornithinamide.jpg)
L-Ornithinamide, L-valyl-N5-(aminocarbonyl)-N-[4-(hydroxymethyl) phenyl]- (9CI, ACI) H335, H319, H315, H302
| Lintho Tsa Bohlokoa Tsa 'Mele | Boleng | Boemo |
| Boima ba Molek'hule | 379.45 | - |
| Sebaka se belang (Se boletsoeng esale pele) | 715.0±60.0 °C | Tobetsa: 760 Torr |
| Boima (bo boletsoeng esale pele) | 1.243±0.06 g/cm3 | Mocheso: 20 °C;Tobetsa: 760 Torr |
| pKa (E boletsoeng esale pele) | 13.75±0.46 | Mocheso o nang le Asiti ka ho Fetisisa: 25 °C |
Lipososelo tsa 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)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
Senotlolo sa InChi
VEGGTWZUZGZKHY-GJZGRUSLSA-N
4 Mabitso a Mang a Ntho ena
L-Valyl-N5-(aminocarbonyl)-N- [4- (hydroxymethyl) phenyl] -L-ornithinamide (ACI);1: PN: WO2023061224 LEQEPHE: 34 tse boleloang tatelano;Valine-Citrulline-p- aminobenzylcarbamate;Vc-PAB
| Thepa e teng |
| Likokoana-hloko |
| Lik'hemik'hale |
| Botenya |
| Lipinski |
| Sebopeho se Amanang |
| Mocheso |
Likokoana-hloko
| Thepa | Boleng | Boemo | Mohloli |
| Bioconcentration Factor | 1.0 | pH 1;Mocheso: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 2;Mocheso: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 3;Mocheso: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 4;Mocheso: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 5;Mocheso: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 6;Mocheso: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 7;Mocheso: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 8;Mocheso: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 9;Mocheso: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 10;Mocheso: 25 °C | (1) ACD |
(1) E baloang ho sebelisoa Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lik'hemik'hale
| Thepa | Boleng | Boemo | Mohloli |
| Koc | 1.0 | pH 1;Mocheso: 25 °C | (1) ACD |
| Koc | 1.0 | pH 2;Mocheso: 25 °C | (1) ACD |
| Koc | 1.0 | pH 3;Mocheso: 25 °C | (1) ACD |
| Koc | 1.0 | pH 4;Mocheso: 25 °C | (1) ACD |
| Koc | 1.0 | pH 5;Mocheso: 25 °C | (1) ACD |
| Koc | 1.0 | pH 6;Mocheso: 25 °C | (1) ACD |
| Koc | 1.0 | pH 7;Mocheso: 25 °C | (1) ACD |
| Koc | 6.00 | pH 8;Mocheso: 25 °C | (1) ACD |
| Koc | 13.2 | pH 9;Mocheso: 25 °C | (1) ACD |
| Koc | 15.0 | pH 10;Mocheso: 25 °C | (1) ACD |
| Thepa | Boleng | Boemo | Mohloli |
| logD | -3,53 | pH 1;Mocheso: 25 °C | (1) ACD |
| logD | -3,46 | pH 2;Mocheso: 25 °C | (1) ACD |
| logD | -3,45 | pH 3;Mocheso: 25 °C | (1) ACD |
| logD | -3,42 | pH 4;Mocheso: 25 °C | (1) ACD |
| logD | -3.20 | pH 5;Mocheso: 25 °C | (1) ACD |
| logD | -2,50 | pH 6;Mocheso: 25 °C | (1) ACD |
| logD | -1,57 | pH 7;Mocheso: 25 °C | (1) ACD |
| logD | -0.76 | pH 8;Mocheso: 25 °C | (1) ACD |
| logD | -0.42 | pH 9;Mocheso: 25 °C | (1) ACD |
| logD | -0.36 | pH 10;Mocheso: 25 °C | (1) ACD |
| logP | -0.354±0.602 | Mocheso: 25 °C | (1) ACD |
| Mass Intrinsic Sollubility | 1.6 g/L | Mocheso: 25 °C | (1) ACD |
| Ho qhibiliha ka bongata | 1000 g/L | pH 1;Mocheso: 25 °C | (1) ACD |
| Ho qhibiliha ka bongata | 1000 g/L | pH 2;Mocheso: 25 °C | (1) ACD |
| Ho qhibiliha ka bongata | 1000 g/L | pH 3;Mocheso: 25 °C | (1) ACD |
| Ho qhibiliha ka bongata | 1000 g/L | pH 4;Mocheso: 25 °C | (1) ACD |
| Ho qhibiliha ka bongata | 1000 g/L | pH 5;Mocheso: 25 °C | (1) ACD |
| Ho qhibiliha ka bongata | 220 g/L | pH 6;Mocheso: 25 °C | (1) ACD |
| Ho qhibiliha ka bongata | 26 g/L | pH 7;Mocheso: 25 °C | (1) ACD |
| Ho qhibiliha ka bongata | 4.2 g/L | pH 8;Mocheso: 25 °C | (1) ACD |
| Ho qhibiliha ka bongata | 1.9 g/L | pH 9;Mocheso: 25 °C | (1) ACD |
| Ho qhibiliha ka bongata | 1.6 g/L | pH 10;Mocheso: 25 °C | (1) ACD |
| Ho qhibiliha ka bongata | 1.6 g/L | Metsi a sa tsitsang pH 9.89;Mocheso: 25 °C | (1) ACD |
| Molar Intrinsic Solubility | 4.2 x 10-3 mol/L | Mocheso: 25 °C | (1) ACD |
| Molar Solubility | 2.64 mol/L | pH 1;Mocheso: 25 °C | (1) ACD |
| Molar Solubility | 2.64 mol/L | pH 2;Mocheso: 25 °C | (1) ACD |
| Molar Solubility | 2.64 mol/L | pH 3;Mocheso: 25 °C | (1) ACD |
| Molar Solubility | 2.64 mol/L | pH 4;Mocheso: 25 °C | (1) ACD |
| Molar Solubility | 2.64 mol/L | pH 5;Mocheso: 25 °C | (1) ACD |
| Molar Solubility | 0.59 mol/L | pH 6;Mocheso: 25 °C | (1) ACD |
| Molar Solubility | 0.069 mol/L | pH 7;Mocheso: 25 °C | (1) ACD |
| Molar Solubility | 0.011 mol/L | pH 8;Mocheso: 25 °C | (1) ACD |
| Thepa | Boleng | Boemo | Mohloli |
| Molar Solubility | 4.9 x 10-3 mol/L | pH 9;Mocheso: 25 °C | (1) ACD |
| Molar Solubility | 4.3 x 10-3 mol/L | pH 10;Mocheso: 25 °C | (1) ACD |
| Molar Solubility | 4.3 x 10-3 mol/L | Metsi a sa tsitsang pH 9.89;Mocheso: 25 °C | (1) ACD |
| Boima ba Molek'hule | 379.45 | ||
| pKa | 13.75±0.46 | Mocheso o nang le Asiti ka ho Fetisisa: 25 °C | (1) ACD |
| pKa | 8.19±0.33 | Mocheso ka ho Fetisisa oa Motheo: 25 °C | (1) ACD |
| Khatello ea Mouoane | 1.86 x 10-21 Torr | Mocheso: 25 °C | (1) ACD |
(1) E baloang ho sebelisoa Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Botenya
| Thepa | Boleng | Boemo | Mohloli |
| Botenya | 1.243±0.06 g/cm3 | Mocheso: 20 °C;Tobetsa: 760 Torr | (1) ACD |
| Molumo oa Molar | 305.2±3.0 cm3/mol | Mocheso: 20 °C;Tobetsa: 760 Torr | (1) ACD |
(1) E baloang ho sebelisoa Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Thepa | Boleng | Boemo | Mohloli |
| Li-Bonds tse ka fetolehang ka bolokolohi | 12 | (1) ACD | |
| H Ba amohelang | 9 | (1) ACD | |
| H Bafani | 8 | (1) ACD | |
| H Kakaretso ea Mofani/Moamoheli | 17 | (1) ACD | |
| logP | -0.354±0.602 | Mocheso: 25 °C | (1) ACD |
| Boima ba Molek'hule | 379.45 |
(1) E baloang ho sebelisoa Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Sebopeho se Amanang
| Thepa | Boleng | Boemo | Mohloli |
| Sebaka sa Polar Surface | 160 A2 | (1) ACD | |
(1) E baloang ho sebelisoa Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Mocheso
| Thepa | Boleng | Boemo | Mohloli |
| Ntlha e belang | 715.0±60.0 °C | Tobetsa: 760 Torr | (1) ACD |
| Enthalpy ea vaporization | 109.72±3.0 kJ/mol | Tobetsa: 760 Torr | (1) ACD |
| Flash point | 386.2±32.9 °C | (1) ACD |
(1) E baloang ho sebelisoa Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra e fumaneha
1H NMR
13C NMR
| Khoutu | Polelo ea Kotsi | Mohloli |
| H335 | E ka baka ho teneha ha moea | European Chemical Agency (ECHA) Classification & Labelling Inventory - Sehlopha se tsebisitsoeng le ho ngolisoa - litsebiso tse tloaelehileng haholo, Sehlopha sa European Chemical Agency (ECHA) Classification & Labelling Inventory - Sehlopha se tsebisitsoeng le ho ngola - litsebiso tse tebileng ka ho fetisisa. |
| H319 | E baka ho teneha ho hoholo ha mahlo | European Chemical Agency (ECHA) Classification & Labelling Inventory - Sehlopha se tsebisitsoeng le ho ngolisoa - litsebiso tse tloaelehileng haholo, Sehlopha sa European Chemical Agency (ECHA) Classification & Labelling Inventory - Sehlopha se tsebisitsoeng le ho ngola - litsebiso tse tebileng ka ho fetisisa. |
| H315 | E baka ho teneha ha letlalo | European Chemical Agency (ECHA) Classification & Labelling Inventory - Sehlopha se tsebisitsoeng le ho ngolisoa - litsebiso tse tloaelehileng haholo, Sehlopha sa European Chemical Agency (ECHA) Classification & Labelling Inventory - Sehlopha se tsebisitsoeng le ho ngola - litsebiso tse tebileng ka ho fetisisa. |
| H302 | E kotsi haeba e koetsoe | European Chemical Agency (ECHA) Classification & Labelling Inventory - Sehlopha se tsebisitsoeng le ho ngolisoa - litsebiso tse tloaelehileng haholo, Sehlopha sa European Chemical Agency (ECHA) Classification & Labelling Inventory - Sehlopha se tsebisitsoeng le ho ngola - litsebiso tse tebileng ka ho fetisisa. |
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