![C41H39NO6 aigéad 1-pirrolidinecarboxylic, 2-[[bis(4-meatocsafeinil)feinilméitocsa]meitil]-4-hiodrocsa-, 9H-fluairéin-9-ilmeitile eistear, (2S,4R)- (9 CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![Aigéad 1-pirrolidinecarboxylic, 2-[[bis(4-meatocsafeinil)feinilméitocsa]meitil]-4-hiodrocsa-, eistear 9H-fluairéin-9-ilmeitile, (2S,4R)- (9 CI, ACI) Íomhá Réadmhaoin](https://cdn.globalso.com/nvchem/C41H39NO6-1-Pyrrolidinecarboxylic-acid.jpg)
C41H39NO6 aigéad 1-pirrolidinecarboxylic, 2-[[bis(4-meatocsafeinil)feinilméitocsa]meitil]-4-hiodrocsa-, 9H-fluairéin-9-ilmeitile eistear, (2S,4R)- (9 CI, ACI)
| Príomhairíonna Fisiceacha | Luach | Coinníoll |
| Meáchan Móilíneach | 641.75 | - |
| Fiuchphointe (Tuartha) | 768.7±60.0 °C | Brúigh: 760 Torr |
| Dlús (Tuartha) | 1.237±0.06 g/cm3 | Teocht: 20 °C; Brú: 760 Torr |
| pKa (Tuartha) | 14.50±0.40 | Teocht is Aigéadaí: 25 °C |
AOIBHÍ Canónacha O=C(OCC1C=2C=CC=CC2C=3C=CC=CC31)N4CC(O)CC4COC(C=5C=CC=CC5)(C6=CC=C(OC)C=C6)C7=CC=C(OC)C=C7
Isiméireacha SMILES C(OC[C@H]1N(C(OCC2C=3C(C=4C2=CC=CC4)=CC=CC3)=O)C[C@H](O)C1)(C5=CC=C(OC)C=C5)(C6=CC=C(OC)C=C6)C7=CC=CC=C7
InChI
InChI=1S/C41H39NO6/c1-45-33-20-16-29(17-21-33)41(28-10-4-3-5- 11-28,30-18-22-34(46-2)23-19-30)48-26-31-24-32(43)25-42(31)40( 44)47-27-39-37-14-8-6-12-35(37)36-13-7-9-15-38(36)39/h3-23,31-32,39,43H,24-27H2,1-2H3/t31-,32+/m
Eochair InChI
QPXSKGJQEBDWES-AJQTZOPKSA-N
2 Ainm Eile don tSubstaint seo
Aigéad 1-pirrolidinecarboxylic, 2-[[bis(4-meatocsafeinil)feinilmeatocsa]meitil]-4-hiodrocsa-, 9H-fluairéin-9-ilmeitile eistear, (2S-tras)- (ZCI); 9H-fluairéin-9-ilmeitil (2S,4R)-2-[[bis(4-meatocsafeinil)feinilmeatocsa]meitil]-4-hiodrocsa-1-pirrolidinecarboxylate (ACI)
| Maoine atá ar fáil |
| Bitheolaíoch |
| Ceimiceach |
| Dlús |
| Lipinski |
| Struchtúr Gaolmhar |
| Teirmeach |
Bitheolaíoch
| Maoin | Luach | Coinníoll | Foinse |
| Fachtóir Bith-thiúchana | 1.00 x 106 | pH 1; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 1.00 x 106 | pH 2; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 1.00 x 106 | pH 3; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 1.00 x 106 | pH 4; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 1.00 x 106 | pH 5; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 1.00 x 106 | pH 6; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 1.00 x 106 | pH 7; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 1.00 x 106 | pH 8; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 1.00 x 106 | pH 9; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 1.00 x 106 | 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 | 7.70 x 105 | pH 1; Teocht: 25 °C | (1) ACD |
| Koc | 7.70 x 105 | pH 2; Teocht: 25 °C | (1) ACD |
| Koc | 7.70 x 105 | pH 3; Teocht: 25 °C | (1) ACD |
| Koc | 7.70 x 105 | pH 4; Teocht: 25 °C | (1) ACD |
| Koc | 7.70 x 105 | pH 5; Teocht: 25 °C | (1) ACD |
| Koc | 7.70 x 105 | pH 6; Teocht: 25 °C | (1) ACD |
| Koc | 7.70 x 105 | pH 7; Teocht: 25 °C | (1) ACD |
| Koc | 7.70 x 105 | pH 8; Teocht: 25 °C | (1) ACD |
| Koc | 7.70 x 105 | pH 9; Teocht: 25 °C | (1) ACD |
| Koc | 7.70 x 105 | pH 10; Teocht: 25 °C | (1) ACD |
| Maoin | Luach | Coinníoll | Foinse |
| logD | 8.29 | pH 1; Teocht: 25 °C | (1) ACD |
| logD | 8.29 | pH 2; Teocht: 25 °C | (1) ACD |
| logD | 8.29 | pH 3; Teocht: 25 °C | (1) ACD |
| logD | 8.29 | pH 4; Teocht: 25 °C | (1) ACD |
| logD | 8.29 | pH 5; Teocht: 25 °C | (1) ACD |
| logD | 8.29 | pH 6; Teocht: 25 °C | (1) ACD |
| logD | 8.29 | pH 7; Teocht: 25 °C | (1) ACD |
| logD | 8.29 | pH 8; Teocht: 25 °C | (1) ACD |
| logD | 8.29 | pH 9; Teocht: 25 °C | (1) ACD |
| logD | 8.29 | pH 10; Teocht: 25 °C | (1) ACD |
| logP | 8.289±0.729 | Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Intreach Mais | 4.7 x 10-6 g/L | Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 4.7 x 10-6 g/L | pH 1; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 4.7 x 10-6 g/L | pH 2; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 4.7 x 10-6 g/L | pH 3; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 4.7 x 10-6 g/L | pH 4; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 4.7 x 10-6 g/L | pH 5; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 4.7 x 10-6 g/L | pH 6; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 4.7 x 10-6 g/L | pH 7; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 4.7 x 10-6 g/L | pH 8; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 4.7 x 10-6 g/L | pH 9; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 4.7 x 10-6 g/L | pH 10; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 4.7 x 10-6 g/L | Uisce Gan Maolán pH 7.00; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Intreach Mhólar | 7.3 x 10-9 móil/L | Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 7.3 x 10-9 móil/L | pH 1; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 7.3 x 10-9 móil/L | pH 2; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 7.3 x 10-9 móil/L | pH 3; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 7.3 x 10-9 móil/L | pH 4; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 7.3 x 10-9 móil/L | pH 5; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 7.3 x 10-9 móil/L | pH 6; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 7.3 x 10-9 móil/L | pH 7; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 7.3 x 10-9 móil/L | pH 8; Teocht: 25 °C | (1) ACD |
| Maoin | Luach | Coinníoll | Foinse |
| Intuaslagthacht Mhólar | 7.3 x 10-9 móil/L | pH 9; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 7.3 x 10-9 móil/L | pH 10; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 7.3 x 10-9 móil/L | Uisce Gan Maolán pH 7.00; Teocht: 25 °C | (1) ACD |
| Meáchan Móilíneach | 641.75 | ||
| pKa | 14.50±0.40 | Teocht is Aigéadaí: 25 °C | (1) ACD |
| pKa | -3.24±0.60 | Teocht is Bunúsaí: 25 °C | (1) ACD |
| Brú Gaile | 7.42 x 10-25 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 | 1.237±0.06 g/cm3 | Teocht: 20 °C; Brú: 760 Torr | (1) ACD |
| Toirt Mhólach | 518.4±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 | 12 | (1) ACD | |
| Glacadóirí H | 7 | (1) ACD | |
| Deontóirí H | 1 | (1) ACD | |
| Suim an Deontóra/Glacadóra H | 8 | (1) ACD | |
| logP | 8.289±0.729 | Teocht: 25 °C | (1) ACD |
| Meáchan Móilíneach | 641.75 |
(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 | 77.5 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 | 768.7±60.0 °C | Brúigh: 760 Torr | (1) ACD |
| Eintalpacht Galúcháin | 117.42±3.0 kJ/mol | Brúigh: 760 Torr | (1) ACD |
| Pointe Splanc | 418.7±32.9 °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
![C30H28N2O7 6H-Fúró[2′,3′:4,5]ocsasóló[3,2-a]pirimidín-6-ón, 2-[[bis(4-meatocsa feinil)feinilmeatocsa]meitil]-2,3,3a,9a-teitreahidre-3-hiodrocsa-, (2R,3R,3aS,9aR)- (9CI, ACI)](https://cdn.globalso.com/nvchem/C30H28N2O7-6H-Furo-300x300.jpg)
![L-Ornithinamide, L-valyl-N5-(aminocarbonyl)-N-[4-(hydroxymethyl) feinil]- (9CI, ACI) H335, H319, H315, H302](https://cdn.globalso.com/nvchem/L-Ornithinamide-300x300.jpg)
![C31H30N2O7 6H-Fúró[2′,3′:4,5]ocsasóló[3,2-a]pirimidín-6-ón, 2-[[bis(4-meatocsa feinil)feinilmeatocsa]meitil]-2,3,3a,9a-teitreahidre-3-hiodrocsa-7-meitil-, (2R,3R,3aS,9aR)- (9CI, ACI)](https://cdn.globalso.com/nvchem/C31H30N2O7-6H-Furo-300x300.jpg)
