![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 Egosiputara onyogho](https://cdn.globalso.com/nvchem/L-Ornithinamide.jpg)
L-Ornithinamide, L-valyl-N5- (aminocarbonyl) -N-[4- (hydroxymethyl) phenyl] - (9CI, ACI) H335, H319, H315, H302
| Njirimara anụ ahụ igodo | Uru | Ọnọdụ |
| Ibu molekụla | 379.45 | - |
| Ebe a na-esi esi esi (buru amụma) | 715.0±60.0C | Pịa: 760 Torr |
| Njupụta (buru amụma) | 1.243±0.06 g/cm3 | Okpomọkụ: 20 °C; Pịa: 760 Torr |
| pKa (buru amụma) | 13.75± 0.46 | Okpomọkụ kachasị acidic: 25 Celsius |
Canonical SMILES 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
Igodo InChi
VEGGTWZUZGZKHY-GJZGRUSLSA-N
4 Aha ndị ọzọ maka ihe a
L-Valyl-N5 (aminocarbonyl)N-[4- (hydroxymethyl) phenyl] -L-ornithinamide (ACI); 1: PN: WO2023061224 PEEJI: 34 kwuru usoro; Valine-Citrullinepaminobenzylcarbamate; Vc-PAB
| Ngwongwo dị |
| Usoro ndu |
| Chemical |
| Njupụta |
| Lipinski |
| Ọdịdị metụtara |
| Thermal |
Usoro ndu
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Ihe kpatara bioconcentration | 1.0 | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 1.0 | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 1.0 | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 1.0 | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 1.0 | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 1.0 | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 1.0 | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 1.0 | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 1.0 | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 1.0 | pH 10; Okpomọkụ: 25 Celsius C | (1) ACD |
(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Chemical
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Koc | 1.0 | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 1.0 | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 1.0 | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 1.0 | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 1.0 | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 1.0 | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 1.0 | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 6.00 | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 13.2 | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 15.0 | pH 10; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| logD | -3.53 | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | -3.46 | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | -3.45 | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | -3.42 | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | -3.20 | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | -2.50 | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | -1.57 | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | -0.76 | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | -0.42 | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | -0.36 | pH 10; Okpomọkụ: 25 Celsius C | (1) ACD |
| logP | -0.354±0.602 | Okpomọkụ: 25 Celsius C | (1) ACD |
| Ọkachamara Solubility dị n'ime | 1.6 g/L | Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 1000 g/L | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 1000 g/L | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 1000 g/L | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 1000 g/L | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 1000 g/L | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 220 g/L | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 26 g/l | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 4.2 g/L | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 1.9 g/L | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 1.6 g/L | pH 10; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 1.6 g/L | Mmiri na-enweghị atụ pH 9.89; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility dị n'ime Molar | 4.2 x 10-3 mol / l | Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 2.64 mol / l | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 2.64 mol / l | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 2.64 mol / l | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 2.64 mol / l | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 2.64 mol / l | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 0.59 mol / l | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 0.069 mol/L | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 0.011 mol / l | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Solubility Molar | 4.9 x 10-3 mol/L | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 4.3 x 10-3 mol / l | pH 10; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 4.3 x 10-3 mol / l | Mmiri na-enweghị atụ pH 9.89; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ibu molekụla | 379.45 | ||
| pKa | 13.75± 0.46 | Okpomọkụ kachasị acidic: 25 Celsius | (1) ACD |
| pKa | 8.19± 0.33 | Okpomọkụ kachasị mma: 25 Celsius | (1) ACD |
| Uzuoku Nrụgide | 1.86 x 10-21 Torr | Okpomọkụ: 25 Celsius C | (1) ACD |
(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Njupụta
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Njupụta | 1.243±0.06 g/cm3 | Okpomọkụ: 20 °C; Pịa: 760 Torr | (1) ACD |
| Olu Molar | 305.2± 3.0 cm3 / mol | Okpomọkụ: 20 °C; Pịa: 760 Torr | (1) ACD |
(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Nkwekọrịta na-agbanwe agbanwe n'efu | 12 | (1) ACD | |
| H Ndị nnabata | 9 | (1) ACD | |
| H Ndị na-enye onyinye | 8 | (1) ACD | |
| H Donor/Anabata Nchikota | 17 | (1) ACD | |
| logP | -0.354±0.602 | Okpomọkụ: 25 Celsius C | (1) ACD |
| Ibu molekụla | 379.45 |
(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Ọdịdị metụtara
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Mpaghara elu elu | 160 A2 | (1) ACD | |
(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Thermal
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Ebe esi nri | 715.0±60.0C | Pịa: 760 Torr | (1) ACD |
| Enthalpy nke Vaporization | 109.72± 3.0 kJ/mol | Pịa: 760 Torr | (1) ACD |
| Ebe mgbari | 386.2± 32.9 °C | (1) ACD |
(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra dị
1H NMR
13C NMR
| Koodu | Nkwupụta egwu | Isi mmalite |
| H335 | Nwere ike ịkpata mgbakasị iku ume | European Chemical Agency (ECHA) Nhazi&nyonye aha - Nhazi ọkwa na akara aha - ọkwa kachasị, European Chemical Agency (ECHA) Nhazi&nyonye aha - Nhazi ọkwa na akara aha - ọkwa kacha njọ. |
| H319 | Na-ebute oke iwe anya | European Chemical Agency (ECHA) Nhazi&nyonye aha - Nhazi ọkwa na akara aha - ọkwa kachasị, European Chemical Agency (ECHA) Nhazi&nyonye aha - Nhazi ọkwa na akara aha - ọkwa kacha njọ. |
| H315 | Na-ebute mgbakasị anụ ahụ | European Chemical Agency (ECHA) Nhazi&nyonye aha - Nhazi ọkwa na akara aha - ọkwa kachasị, European Chemical Agency (ECHA) Nhazi&nyonye aha - Nhazi ọkwa na akara aha - ọkwa kacha njọ. |
| H302 | Na-emerụ ahụ ma ọ bụrụ na ejiri ya | European Chemical Agency (ECHA) Nhazi&nyonye aha - Nhazi ọkwa na akara aha - ọkwa kachasị, European Chemical Agency (ECHA) Nhazi&nyonye aha - Nhazi ọkwa na akara aha - ọkwa kacha njọ. |
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