![C38H49NO7 1- aigéad pirrolidinedodecanoic, 2- [[bis(4-meatocsafeinil)feinilméitocsa]meitil]-4-hiodrocsa-λ-ocsó-, (2S,4R)- (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C38H49NO7 1- aigéad pirrolidinedodecanoic, 2- [[bis(4-meatocsafeinil)feinilméitocsa]meitil]-4-hiodrocsa-λ-ocsó-, (2S,4R)- (ACI) Íomhá Réadmhaoin](https://cdn.globalso.com/nvchem/C38H49NO7-1-Pyrrolidinedodecanoic-acid.jpg)
C38H49NO7 1- aigéad pirrolidinedodecanoic, 2- [[bis(4-meatocsafeinil)feinilméitocsa]meitil]-4-hiodrocsa-λ-ocsó-, (2S,4R)- (ACI)
| Príomhairíonna Fisiceacha | Luach | Coinníoll |
| Meáchan Móilíneach | 631.80 | - |
| Fiuchphointe (Tuartha) | 779.4±60.0 °C | Brúigh: 760 Torr |
| Dlús (Tuartha) | 1.154±0.06 g/cm3 | Teocht: 20 °C; Brú: 760 Torr |
| pKa (Tuartha) | 4.78±0.10 | Teocht is Aigéadaí: 25 °C |
AOIBHIRÍ Canónacha O=C(O)CCCCCCCCCC(=O)N1CC(O)CC1COC(C=2C=CC=CC2)(C3=CC=C(OC)C=C3)C4=CC=C(OC)C=C4
Isiméireacha SMILES C(OC[C@H]1N(C(CCCCCCCCCC(O)=O)=O)C[C@H](O)C1)(C2=CC=C(OC)C=C2)(C3=CC=C(OC)C=C3)C4=CC=CC=C4
InChI
InChI=1S/C38H49NO7/c1-44-34-22-18-30(19-23-34)38(29-14-10-9-1 1-15-29,31-20-24-35(45-2)25-21-31)46-28-32-26-33(40)27-39(32) 36(41)16-12-7-5-3-4-6-8-13-17-37(42)43/h9-11,14-15,18-25,32- 33,40H,3-8,12-13,16-17,26-28H2,1-2H3,(H,42,43)/t32-,33+/m0/s1
Eochair InChI
CEYLTMDXADTBEL-JHOUSYSJSA-N
1 Ainm Eile don tSubstaint seo
Aigéad (2S,4R)-2-[[Bis(4-meatocsafeinil)feinilmeatocsa]meitil]-4-hiodrocsa-λ-ocsó-1-pirrolidinedóideacánóch (ACI)
| Maoine atá ar fáil |
| Bitheolaíoch |
| Ceimiceach |
| Dlús |
| Lipinski |
| Struchtúr Gaolmhar |
| Teirmeach |
Bitheolaíoch
| Maoin | Luach | Coinníoll | Foinse |
| Fachtóir Bith-thiúchana | 2.46 x 105 | pH 1; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 2.46 x 105 | pH 2; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 2.42 x 105 | pH 3; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 2.11 x 105 | pH 4; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 92400 | pH 5; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 14000 | pH 6; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 1510 | pH 7; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 192 | pH 8; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 58.6 | pH 9; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 45.3 | 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 | 2.52 x 105 | pH 1; Teocht: 25 °C | (1) ACD |
| Koc | 2.51 x 105 | pH 2; Teocht: 25 °C | (1) ACD |
| Koc | 2.47 x 105 | pH 3; Teocht: 25 °C | (1) ACD |
| Koc | 2.16 x 105 | pH 4; Teocht: 25 °C | (1) ACD |
| Koc | 94500 | pH 5; Teocht: 25 °C | (1) ACD |
| Koc | 14300 | pH 6; Teocht: 25 °C | (1) ACD |
| Koc | 1550 | pH 7; Teocht: 25 °C | (1) ACD |
| Koc | 196 | pH 8; Teocht: 25 °C | (1) ACD |
| Koc | 59.9 | pH 9; Teocht: 25 °C | (1) ACD |
| Koc | 46.3 | pH 10; Teocht: 25 °C | (1) ACD |
| logD | 7.40 | pH 1; Teocht: 25 °C | (1) ACD |
| Maoin | Luach | Coinníoll | Foinse |
| logD | 7.40 | pH 2; Teocht: 25 °C | (1) ACD |
| logD | 7.39 | pH 3; Teocht: 25 °C | (1) ACD |
| logD | 7.33 | pH 4; Teocht: 25 °C | (1) ACD |
| logD | 6.97 | pH 5; Teocht: 25 °C | (1) ACD |
| logD | 6.15 | pH 6; Teocht: 25 °C | (1) ACD |
| logD | 5.19 | pH 7; Teocht: 25 °C | (1) ACD |
| logD | 4.29 | pH 8; Teocht: 25 °C | (1) ACD |
| logD | 3.77 | pH 9; Teocht: 25 °C | (1) ACD |
| logD | 3.66 | pH 10; Teocht: 25 °C | (1) ACD |
| logP | 7.397±0.598 | Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Intreach Mais | 1.3 x 10-4 g/L | Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 1.3 x 10-4 g/L | pH 1; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 1.3 x 10-4 g/L | pH 2; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 1.3 x 10-4 g/L | pH 3; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 1.5 x 10-4 g/L | pH 4; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 3.5 x 10-4 g/L | pH 5; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 2.3 x 10-3 g/L | pH 6; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 0.021 g/L | pH 7; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 0.17 g/L | pH 8; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 0.55 g/L | pH 9; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 0.69 g/L | pH 10; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 1.3 x 10-3 g/L | Uisce Gan Maolán pH 5.73; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Intreach Mhólar | 2.1 x 10-7 móil/L | Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 2.1 x 10-7 móil/L | pH 1; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 2.1 x 10-7 móil/L | pH 2; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 2.1 x 10-7 móil/L | pH 3; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 2.4 x 10-7 móil/L | pH 4; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 5.5 x 10-7 móil/L | pH 5; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 3.6 x 10-6 móil/L | pH 6; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 3.4 x 10-5 móil/L | pH 7; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 2.7 x 10-4 móil/L | pH 8; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 8.7 x 10-4 móil/L | pH 9; Teocht: 25 °C | (1) ACD |
| Maoin | Luach | Coinníoll | Foinse |
| Intuaslagthacht Mhólar | 1.1 x 10-3 móil/L | pH 10; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 2.1 x 10-6 móil/L | Uisce Gan Maolán pH 5.73; Teocht: 25 °C | (1) ACD |
| Meáchan Móilíneach | 631.80 | ||
| pKa | 4.78±0.10 | Teocht is Aigéadaí: 25 °C | (1) ACD |
| pKa | -2.31±0.60 | Teocht is Bunúsaí: 25 °C | (1) ACD |
| Brú Gaile | 1.42 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 | 1.154±0.06 g/cm3 | Teocht: 20 °C; Brú: 760 Torr | (1) ACD |
| Toirt Mhólach | 547.3±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 | 20 | (1) ACD | |
| Glacadóirí H | 8 | (1) ACD | |
| Deontóirí H | 2 | (1) ACD | |
| Suim an Deontóra/Glacadóra H | 10 | (1) ACD | |
| logP | 7.397±0.598 | Teocht: 25 °C | (1) ACD |
| Meáchan Móilíneach | 631.80 |
(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 | 106 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 | 779.4±60.0 °C | Brúigh: 760 Torr | (1) ACD |
| Eintalpacht Galúcháin | 118.97±3.0 kJ/mol | Brúigh: 760 Torr | (1) ACD |
| Pointe Splanc | 425.2±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
![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)
![C50H58N7O9P Adenosine, N-beinsóil-5′-O-[bis(4-meatocsafeinil)feinilmeitil]-2′ – O-(2-meatocsaeitile)-, 3′ – [2-cianóeitile N,N-bis(1-meitileitile) fosfaramidít] (ACI)](https://cdn.globalso.com/nvchem/C50H58N7O9P-Adenosine-300x300.png)
![C21H21N3O6 Tímidín, α–[(1-naftaléinilmeitil)aimín]-α-ocsó- (ACI)](https://cdn.globalso.com/nvchem/C21H21N3O6-Thymidine-300x300.png)
![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)
