![L-Ornithinamid, 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-Ornithinamid, L-valyl-N5-(aminocarbonyl)-N-[4-(hydroxymethyl) phenyl]- (9CI, ACI) H335, H319, H315, H302 Delwedd Dethol](https://cdn.globalso.com/nvchem/L-Ornithinamide.jpg)
L-Ornithinamid, L-valyl-N5-(aminocarbonyl)-N-[4-(hydroxymethyl) phenyl]- (9CI, ACI) H335, H319, H315, H302
| Priodweddau Ffisegol Allweddol | Gwerth | Cyflwr |
| Pwysau Moleciwlaidd | 379.45 | - |
| Pwynt Berwi (Rhagfynegedig) | 715.0±60.0 °C | Gwasg: 760 Torr |
| Dwysedd (Rhagfynegedig) | 1.243±0.06 g/cm3 | Tymheredd: 20 °C; Gwasgedd: 760 Torr |
| pKa (Rhagfynegedig) | 13.75±0.46 | Tymheredd Mwyaf Asidig: 25 °C |
GWÊNAU Canonaidd O=C(N)NCCCC(NC(=O)C(N)C(C)C)C(=O)NC1=CC=C(C=C1)CO
GWÊNAU Isomerig [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)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
Allwedd InChI
VEGGTWZUZGZKHY-GJZGRUSLSA-N
4 Enw Arall 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-Aminobenzylcarbamat; Vc-PAB
| Eiddo sydd ar gael |
| Biolegol |
| Cemegol |
| Dwysedd |
| Lipinski |
| Cysylltiedig â Strwythur |
| Thermol |
Biolegol
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Ffactor Biogrynodiad | 1.0 | pH 1; Tymheredd: 25 °C | (1) ACD |
| Ffactor Biogrynodiad | 1.0 | pH 2; Tymheredd: 25 °C | (1) ACD |
| Ffactor Biogrynodiad | 1.0 | pH 3; Tymheredd: 25 °C | (1) ACD |
| Ffactor Biogrynodiad | 1.0 | pH 4; Tymheredd: 25 °C | (1) ACD |
| Ffactor Biogrynodiad | 1.0 | pH 5; Tymheredd: 25 °C | (1) ACD |
| Ffactor Biogrynodiad | 1.0 | pH 6; Tymheredd: 25 °C | (1) ACD |
| Ffactor Biogrynodiad | 1.0 | pH 7; Tymheredd: 25 °C | (1) ACD |
| Ffactor Biogrynodiad | 1.0 | pH 8; Tymheredd: 25 °C | (1) ACD |
| Ffactor Biogrynodiad | 1.0 | pH 9; Tymheredd: 25 °C | (1) ACD |
| Ffactor Biogrynodiad | 1.0 | pH 10; Tymheredd: 25 °C | (1) ACD |
(1) Wedi'i gyfrifo gan ddefnyddio Meddalwedd Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Cemegol
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Koc | 1.0 | pH 1; Tymheredd: 25 °C | (1) ACD |
| Koc | 1.0 | pH 2; Tymheredd: 25 °C | (1) ACD |
| Koc | 1.0 | pH 3; Tymheredd: 25 °C | (1) ACD |
| Koc | 1.0 | pH 4; Tymheredd: 25 °C | (1) ACD |
| Koc | 1.0 | pH 5; Tymheredd: 25 °C | (1) ACD |
| Koc | 1.0 | pH 6; Tymheredd: 25 °C | (1) ACD |
| Koc | 1.0 | pH 7; Tymheredd: 25 °C | (1) ACD |
| Koc | 6.00 | pH 8; Tymheredd: 25 °C | (1) ACD |
| Koc | 13.2 | pH 9; Tymheredd: 25 °C | (1) ACD |
| Koc | 15.0 | pH 10; Tymheredd: 25 °C | (1) ACD |
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| logD | -3.53 | pH 1; Tymheredd: 25 °C | (1) ACD |
| logD | -3.46 | pH 2; Tymheredd: 25 °C | (1) ACD |
| logD | -3.45 | pH 3; Tymheredd: 25 °C | (1) ACD |
| logD | -3.42 | pH 4; Tymheredd: 25 °C | (1) ACD |
| logD | -3.20 | pH 5; Tymheredd: 25 °C | (1) ACD |
| logD | -2.50 | pH 6; Tymheredd: 25 °C | (1) ACD |
| logD | -1.57 | pH 7; Tymheredd: 25 °C | (1) ACD |
| logD | -0.76 | pH 8; Tymheredd: 25 °C | (1) ACD |
| logD | -0.42 | pH 9; Tymheredd: 25 °C | (1) ACD |
| logD | -0.36 | pH 10; Tymheredd: 25 °C | (1) ACD |
| logP | -0.354±0.602 | Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Cynhenid Màs | 1.6 g/L | Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 1000 g/L | pH 1; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 1000 g/L | pH 2; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 1000 g/L | pH 3; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 1000 g/L | pH 4; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 1000 g/L | pH 5; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 220 g/L | pH 6; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 26 g/L | pH 7; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 4.2 g/L | pH 8; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 1.9 g/L | pH 9; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 1.6 g/L | pH 10; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 1.6 g/L | Dŵr Heb ei Gluffio pH 9.89; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Cynhenid Molar | 4.2 x 10-3 mol/L | Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 2.64 mol/L | pH 1; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 2.64 mol/L | pH 2; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 2.64 mol/L | pH 3; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 2.64 mol/L | pH 4; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 2.64 mol/L | pH 5; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 0.59 mol/L | pH 6; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 0.069 mol/L | pH 7; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 0.011 mol/L | pH 8; Tymheredd: 25 °C | (1) ACD |
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Hydoddedd Molar | 4.9 x 10-3 mol/L | pH 9; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 4.3 x 10-3 mol/L | pH 10; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 4.3 x 10-3 mol/L | Dŵr Heb ei Gluffio pH 9.89; Tymheredd: 25 °C | (1) ACD |
| Pwysau Moleciwlaidd | 379.45 | ||
| pKa | 13.75±0.46 | Tymheredd Mwyaf Asidig: 25 °C | (1) ACD |
| pKa | 8.19±0.33 | Tymheredd Mwyaf Sylfaenol: 25 °C | (1) ACD |
| Pwysedd Anwedd | 1.86 x 10-21 Torr | Tymheredd: 25 °C | (1) ACD |
(1) Wedi'i gyfrifo gan ddefnyddio Meddalwedd Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Dwysedd
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Dwysedd | 1.243±0.06 g/cm3 | Tymheredd: 20 °C; Gwasgedd: 760 Torr | (1) ACD |
| Cyfaint Molar | 305.2±3.0 cm3/mol | Tymheredd: 20 °C; Gwasgedd: 760 Torr | (1) ACD |
(1) Wedi'i gyfrifo gan ddefnyddio Meddalwedd Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Bondiau Cylchdroi'n Rhydd | 12 | (1) ACD | |
| Derbynyddion H | 9 | (1) ACD | |
| Rhoddwyr H | 8 | (1) ACD | |
| Swm Rhoddwr/Derbynydd H | 17 | (1) ACD | |
| logP | -0.354±0.602 | Tymheredd: 25 °C | (1) ACD |
| Pwysau Moleciwlaidd | 379.45 |
(1) Wedi'i gyfrifo gan ddefnyddio Meddalwedd Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Cysylltiedig â Strwythur
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Arwynebedd Wyneb Pegynol | 160 A2 | (1) ACD | |
(1) Wedi'i gyfrifo gan ddefnyddio Meddalwedd Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Thermol
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Pwynt Berwi | 715.0±60.0 °C | Gwasg: 760 Torr | (1) ACD |
| Enthalpi Anweddu | 109.72±3.0 kJ/mol | Gwasg: 760 Torr | (1) ACD |
| Pwynt Fflach | 386.2±32.9 °C | (1) ACD |
(1) Wedi'i gyfrifo gan ddefnyddio Meddalwedd Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spectra sydd ar gael
1H NMR
13C NMR
| Cod | Datganiad Perygl | Ffynhonnell |
| H335 | Gall achosi llid anadlol | Rhestr Dosbarthu a Labelu Asiantaeth Gemegol Ewrop (ECHA) - Dosbarthiad a labelu hysbysedig - yr hysbysiadau mwyaf cyffredin, Rhestr Dosbarthu a Labelu Asiantaeth Gemegol Ewrop (ECHA) - Dosbarthiad a labelu hysbysedig - yr hysbysiadau mwyaf difrifol |
| H319 | Yn achosi llid difrifol i'r llygaid | Rhestr Dosbarthu a Labelu Asiantaeth Gemegol Ewrop (ECHA) - Dosbarthiad a labelu hysbysedig - yr hysbysiadau mwyaf cyffredin, Rhestr Dosbarthu a Labelu Asiantaeth Gemegol Ewrop (ECHA) - Dosbarthiad a labelu hysbysedig - yr hysbysiadau mwyaf difrifol |
| H315 | Yn achosi llid ar y croen | Rhestr Dosbarthu a Labelu Asiantaeth Gemegol Ewrop (ECHA) - Dosbarthiad a labelu hysbysedig - yr hysbysiadau mwyaf cyffredin, Rhestr Dosbarthu a Labelu Asiantaeth Gemegol Ewrop (ECHA) - Dosbarthiad a labelu hysbysedig - yr hysbysiadau mwyaf difrifol |
| H302 | Niweidiol os caiff ei lyncu | Rhestr Dosbarthu a Labelu Asiantaeth Gemegol Ewrop (ECHA) - Dosbarthiad a labelu hysbysedig - yr hysbysiadau mwyaf cyffredin, Rhestr Dosbarthu a Labelu Asiantaeth Gemegol Ewrop (ECHA) - Dosbarthiad a labelu hysbysedig - yr hysbysiadau mwyaf difrifol |
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