![C41H39NO6 1-Pirrolidinecarbocsaileach aigéad, 2-[[bis(4-methocsaifein)feinil ethocsa]meitil]-4-hiodrocsa-, 9H-fluoren-9-ilmeitile eistear, (2S,4R)- (9 CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C41H39NO6 1-Pirrolidinecarbocsaileach aigéad, 2-[[bis(4-methocsaifein)feinil ethocsa]meitil]-4-hiodrocsa-, 9H-fluarain-9-ilmeitile eistear, (2S,4R)- (9 CI, ACI) Íomhá Réadmhaoin](https://cdn.globalso.com/nvchem/C41H39NO6-1-Pyrrolidinecarboxylic-acid.jpg)
C41H39NO6 1-Pirrolidinecarbocsaileach aigéad, 2-[[bis(4-methocsaifein)feinil ethocsa]meitil]-4-hiodrocsa-, 9H-fluoren-9-ilmeitile eistear, (2S,4R)- (9 CI, ACI)
| Príomh-Airíonna 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; Brúigh: 760 Torr |
| pKa (Tuartha) | 14.50±0.40 | Teocht is Airde: 25 °C |
Canonical SMILES 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
SMILES isiméireacha 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+/m0/s1
Eochair InChI
QPXSKGJQEBDWES-AJQTZOPKSA-N
2 Ainmneacha Eile don tSubstaint seo
Aigéad 1-pirrolidinecarbocsaileach, 2-[[bis(4-methoxyphenyl)phenylmethoxy]methyl]-4-hydroxy-, 9H-fluoren-9-ilmethyl eistir, (2S-trans)- (ZCI); 9H-Fluairín-9-ilmheitil (2S,4R)-2-[[bis(4-methocsaifein)feanilmethocsa]meitil]-4-hiodrocsa-1-pirrolidinecarbocsaláit (ACI)
| Airíonna ar fáil |
| Bitheolaíoch |
| Ceimiceach |
| Dlús |
| Lipinski |
| Struchtúr Gaolmhar |
| Teirmeach |
Bitheolaíoch
| Maoin | Luach | Coinníoll | Foinse |
| Fachtóir Bithtiúchana | 1.00 x 106 | pH 1; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 1.00 x 106 | pH 2; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 1.00 x 106 | pH 3; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 1.00 x 106 | pH 4; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 1.00 x 106 | pH 5; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 1.00 x 106 | pH 6; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 1.00 x 106 | pH 7; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 1.00 x 106 | pH 8; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 1.00 x 106 | pH 9; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 1.00 x 106 | pH 10; Teocht: 25 °C | (1) ACD |
(1) Arna ríomh ag baint úsáide as Bogearraí Ardfhorbartha Ceimice (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Ceimiceach
| Maoin | Luach | Coinníoll | Foinse |
| Cóc | 7.70×105 | pH 1; Teocht: 25 °C | (1) ACD |
| Cóc | 7.70×105 | pH 2; Teocht: 25 °C | (1) ACD |
| Cóc | 7.70×105 | pH 3; Teocht: 25 °C | (1) ACD |
| Cóc | 7.70×105 | pH 4; Teocht: 25 °C | (1) ACD |
| Cóc | 7.70×105 | pH 5; Teocht: 25 °C | (1) ACD |
| Cóc | 7.70×105 | pH 6; Teocht: 25 °C | (1) ACD |
| Cóc | 7.70×105 | pH 7; Teocht: 25 °C | (1) ACD |
| Cóc | 7.70×105 | pH 8; Teocht: 25 °C | (1) ACD |
| Cóc | 7.70×105 | pH 9; Teocht: 25 °C | (1) ACD |
| Cóc | 7.70×105 | 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 |
| Tuaslagthacht Intreach Aifrinn | 4.7 x 10-6 g/L | Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 4.7 x 10-6 g/L | pH 1; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 4.7 x 10-6 g/L | pH 2; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 4.7 x 10-6 g/L | pH 3; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 4.7 x 10-6 g/L | pH 4; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 4.7 x 10-6 g/L | pH 5; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 4.7 x 10-6 g/L | pH 6; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 4.7 x 10-6 g/L | pH 7; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 4.7 x 10-6 g/L | pH 8; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 4.7 x 10-6 g/L | pH 9; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 4.7 x 10-6 g/L | pH 10; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 4.7 x 10-6 g/L | Uisce Neamh-mhaolaithe pH 7.00; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Intreach Molar | 7.3 x 10-9 mol/L | Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 7.3 x 10-9 mol/L | pH 1; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 7.3 x 10-9 mol/L | pH 2; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 7.3 x 10-9 mol/L | pH 3; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 7.3 x 10-9 mol/L | pH 4; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 7.3 x 10-9 mol/L | pH 5; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 7.3 x 10-9 mol/L | pH 6; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 7.3 x 10-9 mol/L | pH 7; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 7.3 x 10-9 mol/L | pH 8; Teocht: 25 °C | (1) ACD |
| Maoin | Luach | Coinníoll | Foinse |
| Tuaslagthacht Molar | 7.3 x 10-9 mol/L | pH 9; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 7.3 x 10-9 mol/L | pH 10; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 7.3 x 10-9 mol/L | Uisce Neamh-mhaolaithe pH 7.00; Teocht: 25 °C | (1) ACD |
| Meáchan Móilíneach | 641.75 | ||
| pKa | 14.50±0.40 | Teocht is Airde: 25 °C | (1) ACD |
| pKa | -3.24±0.60 | Teocht is Bunúsaí: 25 °C | (1) ACD |
| Brú Gal | 7.42 x 10-25 Torr | Teocht: 25 °C | (1) ACD |
(1) Arna ríomh ag baint úsáide as Bogearraí Ardfhorbartha Ceimice (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Dlús
| Maoin | Luach | Coinníoll | Foinse |
| Dlús | 1.237±0.06 g/cm3 | Teocht: 20 °C; Brúigh: 760 Torr | (1) ACD |
| Toirt Molar | 518.4±3.0 cm3/mól | Teocht: 20 °C; Brúigh: 760 Torr | (1) ACD |
(1) Arna ríomh ag baint úsáide as Bogearraí Ardfhorbartha Ceimice (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Maoin | Luach | Coinníoll | Foinse |
| Bannaí Rothlach Saor in Aisce | 12 | (1) ACD | |
| H Glacadóirí | 7 | (1) ACD | |
| H Deontóirí | 1 | (1) ACD | |
| H Suim Deontóra/Ghlacadóir | 8 | (1) ACD | |
| logP | 8.289±0.729 | Teocht: 25 °C | (1) ACD |
| Meáchan Móilíneach | 641.75 |
(1) Arna ríomh ag baint úsáide as Bogearraí Ardfhorbartha Ceimice (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Struchtúr Gaolmhar
| Maoin | Luach | Coinníoll | Foinse |
| Achar Dromchla Polar | 77.5 A2 | (1) ACD | |
(1) Arna ríomh ag baint úsáide as Bogearraí Ardfhorbartha Ceimice (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Teirmeach
| Maoin | Luach | Coinníoll | Foinse |
| Fiuchphointe | 768.7±60.0 °C | Brúigh: 760 Torr | (1) ACD |
| Eantalpacht Vaporization | 117.42 ±3.0 kJ/mól | Brúigh: 760 Torr | (1) ACD |
| Splancphointe | 418.7±32.9 °C | (1) ACD |
(1) Arna ríomh ag baint úsáide as Bogearraí Ardfhorbartha Ceimice (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spectra ar fáil
1H NMR
13C NMR
![C48H54N7O8P Adenosine, N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ – O-meitil-, 3′ – [2-cyanoethyl N,N-bis(1-meitileitil)fosfar amaidít] (ACI)](https://cdn.globalso.com/nvchem/C48H54N7O8P-300x300.png)
![C43H55N4O10P Uridín, 5′ -O- [bis(4-methocsaifeinil)feanilmheitil]-2′ -O- (2-methox yethyl)- 5-meitil-, 3′ – [2-chianoethyl N,N-bis(1- meitiile)fosfar amaidít] (ACI)](https://cdn.globalso.com/nvchem/C43H55N4O10P-Uridine-300x300.png)
![C53H66N7O8PSi NÍL CAS: 104992-55-4 Adenosine, N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ – O- [(1,1-démheitile)démheitil-sil]-, 3′ – [2-chianoethyl N,N-bis(1- meitiailile)...](https://cdn.globalso.com/nvchem/C53H66N7O8PSi-300x300.png)
![C38H49NO7 1- Aigéad pirolidinedécanóch, 2- [[bis(4-methocsaifein)feinil ethocsa]meitil]-4-hiodrocsa-λ-oxo-, (2S,4R)- (ACI)](https://cdn.globalso.com/nvchem/C38H49NO7-1-Pyrrolidinedodecanoic-acid-300x300.jpg)