![C21H23N3O5 L-Ornithine, N5-(aminocarbonyl)-N2-[(9H-fluairéin-9-ilmeatocsa) carbónyl]- (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C21H23N3O5 L-Ornithine, N5-(aminocarbonyl)-N2-[(9H-fluorin-9-ylmeatocsa) carbonyl]- (9CI, ACI) Íomhá Réadmhaoin](https://cdn.globalso.com/nvchem/C21H23N3O5-L-Ornithine.jpg)
C21H23N3O5 L-Ornithine, N5-(aminocarbonyl)-N2-[(9H-fluairéin-9-ilmeatocsa) carbónyl]- (9CI, ACI)
| Príomhairíonna Fisiceacha | Luach | Coinníoll |
| Meáchan Móilíneach | 397.43 | - |
| Fiuchphointe (Tuartha) | 671.5±55.0 °C | Brúigh: 760 Torr |
| Dlús (Tuartha) | 1.316±0.06 g/cm3 | Teocht: 20 °C; Brú: 760 Torr |
| pKa (Tuartha) | 3.84±0.21 | Teocht is Aigéadaí: 25 °C |
AOIBHIRÍ Canónacha O=C(OCC1C=2C=CC=CC2C=3C=CC=CC31)NC(C(=O)O)CCCNC(=O)N
Isiméireacha SMILES C(OC(N[C@@H](CCCNC(N)=O)C(O)=O)=O)C1C=2C(C=3C1=CC=CC3)=CC=CC2
InChI
InChI=1S/C21H23N3O5/c22-20(27)23-11-5-10-18(19(25)26)24-21(28) 29-12-17-15-8-3-1-6-13(15)14-7-2-4-9-16(14)17/h1-4,6-9,17-18H, 5,10-12H2,(H,24,28)(H,25,26)(H3,22,23,27)/t18-/m0/s1
Eochair InChI
NBMSMZSRTIOFOK-SFHVURJKSA-N
6 Ainm Eile don tSubstaint seo
N5-(Aimíncharbónail)-N2-[(9H-fluairéin-9-ilmeatocsa)carbóinil]-L-ornítín (ACI); (2S)-5-(Carbamoilaimín)-2-(9Haigéad peantanóch (2S)-5-(Carbamóilaimín)-2-([[(9)H-fluairéin-9-il)meatocsa]carbóinil]aimín)aigéad peantanóch; 218: Uimhir PN: U S20070042401 LEATHANACH: 29 próitéin éilithe; 909: Uimhir PN: WO2006135786 LEATHANACH: 59 próitéin éilithe; Fmoc-L-Citrulline
Speictrim atá ar fáil
1H NMR
13C NMR
Aifreann
| Maoine atá ar fáil |
| Bitheolaíoch |
| Ceimiceach |
| Dlús |
| Lipinski |
| Struchtúr Gaolmhar |
| Teirmeach |
Bitheolaíoch
| Maoin | Luach | Coinníoll | Foinse |
| Fachtóir Bith-thiúchana | 54.3 | pH 1; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 52.8 | pH 2; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 40.0 | pH 3; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 11.7 | pH 4; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 1.45 | pH 5; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 1.0 | pH 6; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 1.0 | pH 7; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 1.0 | pH 8; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 1.0 | pH 9; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 1.0 | pH 10; Teocht: 25 °C | (1) ACD |
(1) Ríomhtha ag baint úsáide as Bogearraí Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Ceimiceach
| Maoin | Luach | Coinníoll | Foinse |
| Koc | 606 | pH 1; Teocht: 25 °C | (1) ACD |
| Koc | 589 | pH 2; Teocht: 25 °C | (1) ACD |
| Koc | 446 | pH 3; Teocht: 25 °C | (1) ACD |
| Koc | 130 | pH 4; Teocht: 25 °C | (1) ACD |
| Koc | 16.2 | pH 5; Teocht: 25 °C | (1) ACD |
| Maoin | Luach | Coinníoll | Foinse |
| Koc | 1.76 | pH 6; Teocht: 25 °C | (1) ACD |
| Koc | 1.0 | pH 7; Teocht: 25 °C | (1) ACD |
| Koc | 1.0 | pH 8; Teocht: 25 °C | (1) ACD |
| Koc | 1.0 | pH 9; Teocht: 25 °C | (1) ACD |
| Koc | 1.0 | pH 10; Teocht: 25 °C | (1) ACD |
| logD | 2.59 | pH 1; Teocht: 25 °C | (1) ACD |
| logD | 2.57 | pH 2; Teocht: 25 °C | (1) ACD |
| logD | 2.45 | pH 3; Teocht: 25 °C | (1) ACD |
| logD | 1.92 | pH 4; Teocht: 25 °C | (1) ACD |
| logD | 1.01 | pH 5; Teocht: 25 °C | (1) ACD |
| logD | 0.05 | pH 6; Teocht: 25 °C | (1) ACD |
| logD | -0.76 | pH 7; Teocht: 25 °C | (1) ACD |
| logD | -1.10 | pH 8; Teocht: 25 °C | (1) ACD |
| logD | -1.15 | pH 9; Teocht: 25 °C | (1) ACD |
| logD | -1.16 | pH 10; Teocht: 25 °C | (1) ACD |
| logP | 2.591±0.426 | Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Intreach Mais | 4.8 x 10-3 g/L | Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 4.8 x 10-3 g/L | pH 1; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 5.2 x 10-3 g/L | pH 2; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 6.8 x 10-3 g/L | pH 3; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 0.023 g/L | pH 4; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 0.18 g/L | pH 5; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 1.7 g/L | pH 6; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 11 g/L | pH 7; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 23 g/L | pH 8; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 27 g/L | pH 9; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 27 g/L | pH 10; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 0.032 g/L | Uisce Gan Maolán pH 4.18; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Intreach Mhólar | 1.2 x 10-5 móil/L | Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 1.2 x 10-5 móil/L | pH 1; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 1.3 x 10-5 móil/L | pH 2; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 1.7 x 10-5 móil/L | pH 3; Teocht: 25 °C | (1) ACD |
| Maoin | Luach | Coinníoll | Foinse |
| Intuaslagthacht Mhólar | 5.7 x 10-5 móil/L | pH 4; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 4.6 x 10-4 móil/L | pH 5; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 4.2 x 10-3 móil/L | pH 6; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 0.027 móil/L | pH 7; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 0.059 móil/L | pH 8; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 0.067 móil/L | pH 9; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 0.068 móil/L | pH 10; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 8.0 x 10-5 móil/L | Uisce Gan Maolán pH 4.18; Teocht: 25 °C | (1) ACD |
| Meáchan Móilíneach | 397.43 | ||
| pKa | 3.84±0.21 | Teocht is Aigéadaí: 25 °C | (1) ACD |
| pKa | -0.21±0.70 | Teocht is Bunúsaí: 25 °C | (1) ACD |
| Brú Gaile | 6.01 x 10-19 Torr | Teocht: 25 °C | (1) ACD |
(1) Ríomhtha ag baint úsáide as Bogearraí Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Dlús
| Maoin | Luach | Coinníoll | Foinse |
| Dlús | 1.316±0.06 g/cm3 | Teocht: 20 °C; Brú: 760 Torr | (1) ACD |
| Toirt Mhólach | 301.8±3.0 cm3/mol | Teocht: 20 °C; Brú: 760 Torr | (1) ACD |
(1) Ríomhtha ag baint úsáide as Bogearraí Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Maoin | Luach | Coinníoll | Foinse |
| Bannaí Rothlach Saor in Aisce | 9 | (1) ACD | |
| Glacadóirí H | 8 | (1) ACD | |
| Deontóirí H | 5 | (1) ACD | |
| Suim an Deontóra/Glacadóra H | 13 | (1) ACD | |
| logP | 2.591±0.426 | Teocht: 25 °C | (1) ACD |
| Meáchan Móilíneach | 397.43 |
(1) Ríomhtha ag baint úsáide as Bogearraí Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Struchtúr Gaolmhar
| Maoin | Luach | Coinníoll | Foinse |
| Achar Dromchla Polach | 131 A2 | (1) ACD | |
(1) Ríomhtha ag baint úsáide as Bogearraí Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Teirmeach
| Maoin | Luach | Coinníoll | Foinse |
| Fiuchphointe | 671.5±55.0 °C | Brúigh: 760 Torr | (1) ACD |
| Eintalpacht Galúcháin | 103.64±3.0 kJ/mol | Brúigh: 760 Torr | (1) ACD |
| Pointe Splanc | 359.9±31.5 °C | (1) ACD |
(1) Ríomhtha ag baint úsáide as Bogearraí Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Speictrim atá ar fáil
1H NMR
13C NMR
Liosta Rialála: IECSC, TCSI, VNECI Faisnéis Ghnó Rúnda: Poiblí
| Comhchiallaigh Rialála | ||
| Aigéad Fmoc-L-2-aimín-5-úiré-n-valerach | IECSC | - |
| L-Ornithine, N5-(aminocarbonyl)-N2-[(9H-fluairéin-9-ilmeatocsa)carbonyl]- | TCSI, VNECI | - |
Sonraí de réir Tíre/Idirnáisiúnta & Liostaí Eile Faisnéis Tíre/Réigiúin ar Fáil
Achoimre na Síne
Stádas Fardail ar IECSC
Fardal de Shubstaintí Ceimiceacha atá ann cheana sa tSín Ainm(neacha) Liostaithe: aigéad Fmoc-L-2-amino-5-ureido-n-valeric
Achoimre ar Taiwan
Stádas Fardail ar TCSI Taiwan Government Gazette
Achoimre ar Vítneam
Stádas Fardail ar VNECI
Dréacht-Fhardal Náisiúnta Ceimiceach Vítneam
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