Aigéad 1-pirrolidinecarbocsaileach, 4-hiodrocsa-2-(hiodrocsameitil)-, eistear 9H-fluairéin-9-ilmeitile, (2S,4R)- (9CI, ACI)
| Príomhairíonna Fisiceacha | Luach | Coinníoll |
| Meáchan Móilíneach | 339.39 | - |
| Fiuchphointe (Tuartha) | 549.8±40.0 °C | Brúigh: 760 Torr |
| Dlús (Tuartha) | 1.318±0.06 g/cm3 | Teocht: 20 °C; Brú: 760 Torr |
| pKa (Tuartha) | 14.53±0.40 | Teocht is Aigéadaí: 25 °C |
AOIBHÍ Canónacha O=C(OCC1C=2C=CC=CC2C=3C=CC=CC31)N4CC(O)CC4CO
Isiméireacha SMILES C(OC(=O)N1[C@H](CO)C[C@@H](O)C1)C2C=3C(C=4C2=CC=CC4)=CC=CC3
InChI
InChI=1S/C20H21NO4/c22-11-13-9-14(23)10-21(13)20(24)25-12-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-8,13-14,19,22-23H,9-12
H2/t13-,14+/m0/s1
Eochair InChI
SCXXARDQPGZAJU-UONOGXRCSA-N
3 Ainm Eile don tSubstaint seo
Aigéad 1-pirrolidinecarboxylic, 4-hiodrocsa-2-(hiodrocsameitil)-, eistear 9H-fluairéin-9-ilmeitile, (2S-tras)- (ZCI); 9H-Fluairéin-9-ilmeitil (2S, 4R)-4-hiodrocsa-2-(hiodrocsameitil)-1-pirrolidinecarboxylate (ACI); (3R,5S)-N-Fmoc-3-Hiodrocsapirrolidine-5-Meatánól
| Maoine atá ar fáil |
| Bitheolaíoch |
| Ceimiceach |
| Dlús |
| Lipinski |
| Struchtúr Gaolmhar |
| Teirmeach |
Bitheolaíoch
| Maoin | Luach | Coinníoll | Foinse |
| Fachtóir Bith-thiúchana | 49.6 | pH 1; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 49.6 | pH 2; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 49.6 | pH 3; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 49.6 | pH 4; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 49.6 | pH 5; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 49.6 | pH 6; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 49.6 | pH 7; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 49.6 | pH 8; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 49.6 | pH 9; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 49.6 | 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 | 569 | pH 1; Teocht: 25 °C | (1) ACD |
| Koc | 569 | pH 2; Teocht: 25 °C | (1) ACD |
| Koc | 569 | pH 3; Teocht: 25 °C | (1) ACD |
| Koc | 569 | pH 4; Teocht: 25 °C | (1) ACD |
| Koc | 569 | pH 5; Teocht: 25 °C | (1) ACD |
| Koc | 569 | pH 6; Teocht: 25 °C | (1) ACD |
| Koc | 569 | pH 7; Teocht: 25 °C | (1) ACD |
| Koc | 569 | pH 8; Teocht: 25 °C | (1) ACD |
| Koc | 569 | pH 9; Teocht: 25 °C | (1) ACD |
| Koc | 569 | pH 10; Teocht: 25 °C | (1) ACD |
| Maoin | Luach | Coinníoll | Foinse |
| logD | 2.53 | pH 1; Teocht: 25 °C | (1) ACD |
| logD | 2.53 | pH 2; Teocht: 25 °C | (1) ACD |
| logD | 2.53 | pH 3; Teocht: 25 °C | (1) ACD |
| logD | 2.53 | pH 4; Teocht: 25 °C | (1) ACD |
| logD | 2.53 | pH 5; Teocht: 25 °C | (1) ACD |
| logD | 2.53 | pH 6; Teocht: 25 °C | (1) ACD |
| logD | 2.53 | pH 7; Teocht: 25 °C | (1) ACD |
| logD | 2.53 | pH 8; Teocht: 25 °C | (1) ACD |
| logD | 2.53 | pH 9; Teocht: 25 °C | (1) ACD |
| logD | 2.53 | pH 10; Teocht: 25 °C | (1) ACD |
| logP | 2.534±0.636 | Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Intreach Mais | 0.078 g/L | Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 0.078 g/L | pH 1; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 0.078 g/L | pH 2; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 0.078 g/L | pH 3; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 0.078 g/L | pH 4; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 0.078 g/L | pH 5; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 0.078 g/L | pH 6; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 0.078 g/L | pH 7; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 0.078 g/L | pH 8; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 0.078 g/L | pH 9; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 0.078 g/L | pH 10; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 0.078 g/L | Uisce Gan Maolán pH 7.00; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Intreach Mhólar | 2.3 x 10-4 móil/L | Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 2.3 x 10-4 móil/L | pH 1; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 2.3 x 10-4 móil/L | pH 2; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 2.3 x 10-4 móil/L | pH 3; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 2.3 x 10-4 móil/L | pH 4; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 2.3 x 10-4 móil/L | pH 5; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 2.3 x 10-4 móil/L | pH 6; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 2.3 x 10-4 móil/L | pH 7; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 2.3 x 10-4 móil/L | pH 8; Teocht: 25 °C | (1) ACD |
| Maoin | Luach | Coinníoll | Foinse |
| Intuaslagthacht Mhólar | 2.3 x 10-4 móil/L | pH 9; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 2.3 x 10-4 móil/L | pH 10; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 2.3 x 10-4 móil/L | Uisce Gan Maolán pH 7.00; Teocht: 25 °C | (1) ACD |
| Meáchan Móilíneach | 339.39 | ||
| pKa | 14.53±0.40 | Teocht is Aigéadaí: 25 °C | (1) ACD |
| pKa | -3.10±0.60 | Teocht is Bunúsaí: 25 °C | (1) ACD |
| Brú Gaile | 6.35 x 10-13 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 | 1.318±0.06 g/cm3 | Teocht: 20 °C; Brú: 760 Torr | (1) ACD |
| Toirt Mhólach | 257.3±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 | 6 | (1) ACD | |
| Glacadóirí H | 5 | (1) ACD | |
| Deontóirí H | 2 | (1) ACD | |
| Suim an Deontóra/Glacadóra H | 7 | (1) ACD | |
| logP | 2.534±0.636 | Teocht: 25 °C | (1) ACD |
| Meáchan Móilíneach | 339.39 |
(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 | 70.0 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 | 549.8±40.0 °C | Brúigh: 760 Torr | (1) ACD |
| Eintalpacht Galúcháin | 87.32±3.0 kJ/mol | Brúigh: 760 Torr | (1) ACD |
| Pointe Splanc | 286.3±27.3 °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
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![C39H46FN4O8P Úirídín, 5′-O-[bis(4-meatocsaifeinil)feinilmeitil]-2′-dé-ocsai-2′-fluar-, 3′-[2-cianóeitile N,N-bis(1-meitileitile)fosfaraimídít] (ACI)](https://cdn.globalso.com/nvchem/C39H46FN4O8P-Uridine-300x300.png)
![C33H39N5O6 L-Ornithinamide, N-[(9H-fluairéin-9-ilmeatocsa)carbóinil]-L-valil-N5-(aimíncharbóinil)-N-[4-(hiodrocsaimeitil)feinil]- (9CI, ACI)](https://cdn.globalso.com/nvchem/C33H39N5O6-L-Ornithinamide-300x300.jpg)
![C38H49NO7 1- aigéad pirrolidinedodecanoic, 2- [[bis(4-meatocsafeinil)feinilméitocsa]meitil]-4-hiodrocsa-λ-ocsó-, (2S,4R)- (ACI)](https://cdn.globalso.com/nvchem/C38H49NO7-1-Pyrrolidinedodecanoic-acid-300x300.jpg)
![C30H30N2O8 Úirídín, 5′-O-[bis(4-meatocsaifeinil)feinilmeitil]- (9CI, ACI)](https://cdn.globalso.com/nvchem/C30H30N2O8-Uridine-300x300.jpg)
![C50H60N5O10P Cítidín, N-beinsóil-5′-O-[bis(4-meatocsaifeinil)feinilmeitil]-2′-O-(2-meatocsaieitile)-5-meitil-, 3′ – [2-cianóeitile N,N-bis(1-meitileitile) fosfaramidít] (ACI)](https://cdn.globalso.com/nvchem/C50H60N5O10P-Cytidine-300x300.png)