![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 dan sylw delwedd dan sylw delwedd dan sylw dan sylw delwedd dan sylw](https://cdn.globalso.com/nvchem/L-Ornithinamide.jpg)
L-ornithinamide, l-valyl-n5- (aminocarbonyl) -n- [4- (hydroxymethyl) phenyl]-(9ci, aci) h335, h319, h315, h302
| Priodweddau Ffisegol Allweddol | Gwerthfawrogom | Cyflyrasoch |
| Pwysau moleciwlaidd | 379.45 | - |
| Berwbwynt (a ragwelir) | 715.0 ± 60.0 ° C. | Gwasg: 760 Torr |
| Dwysedd (a ragwelir) | 1.243 ± 0.06 g/cm3 | Temp: 20 ° C; Gwasg: 760 Torr |
| PKA (a ragwelir) | 13.75 ± 0.46 | Mwyaf Temp Asidig: 25 ° C. |
Gwenau canonaidd o = c (n) ncccc (nc (= o) c (n) c (c) c) c (= o) nc1 = cc = c (c = c1) co
Gwenau isomerig [c @@ h] (nc ([c@h] (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
Allwedd inchi
Veggtwzuzgzkhy-gjzgruslsa-n
4 Enw Eraill ar gyfer y Sylwedd hwn
L-valyl-N5- (aminocarbonyl)-N-[4- (hydroxymethyl) phenyl] -l-ornithinamide (ACI); 1: PN: WO2023061224 Tudalen: 34 Dilyniant Hawliedig; Valine-citrulline-p-Aminobenzylcarbamate; VC-PAB
| Eiddo ar gael |
| Biolegol |
| Gemegol |
| Ddwysedd |
| Lipinski |
| Strwythur yn gysylltiedig |
| Thermol |
Biolegol
| Eiddo | Gwerthfawrogom | Cyflyrasoch | Ffynhonnell |
| Ffactor Bio -ganolbwynt | 1.0 | Ph 1; TEMP: 25 ° C. | (1) ACD |
| Ffactor Bio -ganolbwynt | 1.0 | Ph 2; TEMP: 25 ° C. | (1) ACD |
| Ffactor Bio -ganolbwynt | 1.0 | Ph 3; TEMP: 25 ° C. | (1) ACD |
| Ffactor Bio -ganolbwynt | 1.0 | Ph 4; TEMP: 25 ° C. | (1) ACD |
| Ffactor Bio -ganolbwynt | 1.0 | Ph 5; TEMP: 25 ° C. | (1) ACD |
| Ffactor Bio -ganolbwynt | 1.0 | Ph 6; TEMP: 25 ° C. | (1) ACD |
| Ffactor Bio -ganolbwynt | 1.0 | Ph 7; TEMP: 25 ° C. | (1) ACD |
| Ffactor Bio -ganolbwynt | 1.0 | Ph 8; TEMP: 25 ° C. | (1) ACD |
| Ffactor Bio -ganolbwynt | 1.0 | Ph 9; TEMP: 25 ° C. | (1) ACD |
| Ffactor Bio -ganolbwynt | 1.0 | Ph 10; TEMP: 25 ° C. | (1) ACD |
(1) wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygu Cemeg Uwch (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
Gemegol
| Eiddo | Gwerthfawrogom | Cyflyrasoch | Ffynhonnell |
| 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 |
| Eiddo | Gwerthfawrogom | Cyflyrasoch | Ffynhonnell |
| log | -3.53 | Ph 1; TEMP: 25 ° C. | (1) ACD |
| log | -3.46 | Ph 2; TEMP: 25 ° C. | (1) ACD |
| log | -3.45 | Ph 3; TEMP: 25 ° C. | (1) ACD |
| log | -3.42 | Ph 4; TEMP: 25 ° C. | (1) ACD |
| log | -3.20 | Ph 5; TEMP: 25 ° C. | (1) ACD |
| log | -2.50 | Ph 6; TEMP: 25 ° C. | (1) ACD |
| log | -1.57 | Ph 7; TEMP: 25 ° C. | (1) ACD |
| log | -0.76 | Ph 8; TEMP: 25 ° C. | (1) ACD |
| log | -0.42 | Ph 9; TEMP: 25 ° C. | (1) ACD |
| log | -0.36 | Ph 10; TEMP: 25 ° C. | (1) ACD |
| logio | -0.354 ± 0.602 | TEMP: 25 ° C. | (1) ACD |
| Hydoddedd cynhenid torfol | 1.6 g/l | TEMP: 25 ° C. | (1) ACD |
| Hydoddedd torfol | 1000 g/l | Ph 1; TEMP: 25 ° C. | (1) ACD |
| Hydoddedd torfol | 1000 g/l | Ph 2; TEMP: 25 ° C. | (1) ACD |
| Hydoddedd torfol | 1000 g/l | Ph 3; TEMP: 25 ° C. | (1) ACD |
| Hydoddedd torfol | 1000 g/l | Ph 4; TEMP: 25 ° C. | (1) ACD |
| Hydoddedd torfol | 1000 g/l | Ph 5; TEMP: 25 ° C. | (1) ACD |
| Hydoddedd torfol | 220 g/l | Ph 6; TEMP: 25 ° C. | (1) ACD |
| Hydoddedd torfol | 26 g/l | Ph 7; TEMP: 25 ° C. | (1) ACD |
| Hydoddedd torfol | 4.2 g/l | Ph 8; TEMP: 25 ° C. | (1) ACD |
| Hydoddedd torfol | 1.9 g/l | Ph 9; TEMP: 25 ° C. | (1) ACD |
| Hydoddedd torfol | 1.6 g/l | Ph 10; TEMP: 25 ° C. | (1) ACD |
| Hydoddedd torfol | 1.6 g/l | Dŵr heb ei drin pH 9.89; TEMP: 25 ° C. | (1) ACD |
| Hydoddedd cynhenid molar | 4.2 x 10-3 mol/l | TEMP: 25 ° C. | (1) ACD |
| Hydoddedd molar | 2.64 mol/l | Ph 1; TEMP: 25 ° C. | (1) ACD |
| Hydoddedd molar | 2.64 mol/l | Ph 2; TEMP: 25 ° C. | (1) ACD |
| Hydoddedd molar | 2.64 mol/l | Ph 3; TEMP: 25 ° C. | (1) ACD |
| Hydoddedd molar | 2.64 mol/l | Ph 4; TEMP: 25 ° C. | (1) ACD |
| Hydoddedd molar | 2.64 mol/l | Ph 5; TEMP: 25 ° C. | (1) ACD |
| Hydoddedd molar | 0.59 mol/l | Ph 6; TEMP: 25 ° C. | (1) ACD |
| Hydoddedd molar | 0.069 mol/l | Ph 7; TEMP: 25 ° C. | (1) ACD |
| Hydoddedd molar | 0.011 mol/l | Ph 8; TEMP: 25 ° C. | (1) ACD |
| Eiddo | Gwerthfawrogom | Cyflyrasoch | Ffynhonnell |
| Hydoddedd molar | 4.9 x 10-3 mol/l | Ph 9; TEMP: 25 ° C. | (1) ACD |
| Hydoddedd molar | 4.3 x 10-3 mol/l | Ph 10; TEMP: 25 ° C. | (1) ACD |
| Hydoddedd molar | 4.3 x 10-3 mol/l | Dŵr heb ei drin pH 9.89; TEMP: 25 ° C. | (1) ACD |
| Pwysau moleciwlaidd | 379.45 | ||
| PKA | 13.75 ± 0.46 | Mwyaf Temp Asidig: 25 ° C. | (1) ACD |
| PKA | 8.19 ± 0.33 | Temp mwyaf sylfaenol: 25 ° C. | (1) ACD |
| Pwysau anwedd | 1.86 x 10-21 Torr | TEMP: 25 ° C. | (1) ACD |
(1) wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygu Cemeg Uwch (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
Ddwysedd
| Eiddo | Gwerthfawrogom | Cyflyrasoch | Ffynhonnell |
| Ddwysedd | 1.243 ± 0.06 g/cm3 | Temp: 20 ° C; Gwasg: 760 Torr | (1) ACD |
| Cyfaint molar | 305.2 ± 3.0 cm3/mol | Temp: 20 ° C; Gwasg: 760 Torr | (1) ACD |
(1) wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygu Cemeg Uwch (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
Lipinski
| Eiddo | Gwerthfawrogom | Cyflyrasoch | Ffynhonnell |
| Bondiau rotatable yn rhydd | 12 | (1) ACD | |
| H Derbynyddion | 9 | (1) ACD | |
| H rhoddwyr | 8 | (1) ACD | |
| H rhoddwr/derbynnydd swm | 17 | (1) ACD | |
| logio | -0.354 ± 0.602 | TEMP: 25 ° C. | (1) ACD |
| Pwysau moleciwlaidd | 379.45 |
(1) wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygu Cemeg Uwch (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
Strwythur yn gysylltiedig
| Eiddo | Gwerthfawrogom | Cyflyrasoch | Ffynhonnell |
| Arwynebedd pegynol | 160 A2 | (1) ACD | |
(1) wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygu Cemeg Uwch (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
Thermol
| Eiddo | Gwerthfawrogom | Cyflyrasoch | Ffynhonnell |
| Berwbwyntiau | 715.0 ± 60.0 ° C. | Gwasg: 760 Torr | (1) ACD |
| Enthalpi anweddiad | 109.72 ± 3.0 kj/mol | Gwasg: 760 Torr | (1) ACD |
| Phwynt fflach | 386.2 ± 32.9 ° C. | (1) ACD |
(1) wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygu Cemeg Uwch (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
Sbectra ar gael
1h nmr
13c nmr
| Codiff | Datganiad Peryglon | Ffynhonnell |
| H335 | Gall achosi llid anadlol | Rhestr Dosbarthu a Labelu Asiantaeth Gemegol Ewropeaidd (ECHA) - Dosbarthiad a Labelu Hysbysedig - Hysbysiadau Mwyaf Cyffredin, Rhestr Dosbarthu a Labelu Asiantaeth Gemegol Ewropeaidd (ECHA) - Dosbarthiad a Labelu Hysbysedig - Hysbysiadau mwyaf difrifol |
| H319 | Yn achosi llid llygad difrifol | Rhestr Dosbarthu a Labelu Asiantaeth Gemegol Ewropeaidd (ECHA) - Dosbarthiad a Labelu Hysbysedig - Hysbysiadau Mwyaf Cyffredin, Rhestr Dosbarthu a Labelu Asiantaeth Gemegol Ewropeaidd (ECHA) - Dosbarthiad a Labelu Hysbysedig - Hysbysiadau mwyaf difrifol |
| H315 | Yn achosi llid ar y croen | Rhestr Dosbarthu a Labelu Asiantaeth Gemegol Ewropeaidd (ECHA) - Dosbarthiad a Labelu Hysbysedig - Hysbysiadau Mwyaf Cyffredin, Rhestr Dosbarthu a Labelu Asiantaeth Gemegol Ewropeaidd (ECHA) - Dosbarthiad a Labelu Hysbysedig - Hysbysiadau mwyaf difrifol |
| H302 | Niweidiol os caiff ei lyncu | Rhestr Dosbarthu a Labelu Asiantaeth Gemegol Ewropeaidd (ECHA) - Dosbarthiad a Labelu Hysbysedig - Hysbysiadau Mwyaf Cyffredin, Rhestr Dosbarthu a Labelu Asiantaeth Gemegol Ewropeaidd (ECHA) - Dosbarthiad a Labelu Hysbysedig - Hysbysiadau mwyaf difrifol |
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