![C38H49NO7 1- Aigéad pirolidinedécanóch, 2- [[bis(4-methocsaifein)feinil ethocsa]meitil]-4-hiodrocsa-λ-oxo-, (2S,4R)- (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C38H49NO7 1- Aigéad pyrolidinedécanóch, 2- [[bis(4-methocsaifein)feinil ethocsa]meitil]-4-hiodrocsa-λ-oxo-, (2S,4R)- (ACI) Íomhá Réadmhaoin](https://cdn.globalso.com/nvchem/C38H49NO7-1-Pyrrolidinedodecanoic-acid.jpg)
C38H49NO7 1- Aigéad pirolidinedécanóch, 2- [[bis(4-methocsaifein)feinil ethocsa]meitil]-4-hiodrocsa-λ-oxo-, (2S,4R)- (ACI)
| Príomh-Airíonna 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; Brúigh: 760 Torr |
| pKa (Tuartha) | 4.78±0.10 | Teocht is Airde: 25 °C |
Canonical SMILES O=C(O)CCCCCCCCCCC(=O)N1CC(O)CC1COC(C=2C=CC=CC2)(C3=CC=C(OC)C=C3)C4=CC=C(OC)C= C4
SMILES isiméireacha C(OC[C@H]1N(C(CCCCCCCCCCC(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(29-14-10-9-11-15-29,31-20-24-35(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
(2S,4R)-2-[[Bis(4-methocsaifein)feanilmethocsa]meitil]-4-hiodrocsa-λ-ocsa-1-aigéad pirrolidinedécanóch (ACI)
| Airíonna ar fáil |
| Bitheolaíoch |
| Ceimiceach |
| Dlús |
| Lipinski |
| Struchtúr Gaolmhar |
| Teirmeach |
Bitheolaíoch
| Maoin | Luach | Coinníoll | Foinse |
| Fachtóir Bithtiúchana | 2.46×105 | pH 1; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 2.46×105 | pH 2; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 2.42×105 | pH 3; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 2.11×105 | pH 4; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 92400 | pH 5; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 14000 | pH 6; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 1510 | pH 7; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 192 | pH 8; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 58.6 | pH 9; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 45.3 | 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 | 2.52 x 105 | pH 1; Teocht: 25 °C | (1) ACD |
| Cóc | 2.51 x 105 | pH 2; Teocht: 25 °C | (1) ACD |
| Cóc | 2.47×105 | pH 3; Teocht: 25 °C | (1) ACD |
| Cóc | 2.16×105 | pH 4; Teocht: 25 °C | (1) ACD |
| Cóc | 94500 | pH 5; Teocht: 25 °C | (1) ACD |
| Cóc | 14300 | pH 6; Teocht: 25 °C | (1) ACD |
| Cóc | 1550 | pH 7; Teocht: 25 °C | (1) ACD |
| Cóc | 196 | pH 8; Teocht: 25 °C | (1) ACD |
| Cóc | 59.9 | pH 9; Teocht: 25 °C | (1) ACD |
| Cóc | 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 |
| Tuaslagthacht Intreach Aifrinn | 1.3 x 10-4 g/L | Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 1.3 x 10-4 g/L | pH 1; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 1.3 x 10-4 g/L | pH 2; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 1.3 x 10-4 g/L | pH 3; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 1.5 x 10-4 g/L | pH 4; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 3.5 x 10-4 g/L | pH 5; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 2.3 x 10-3 g/L | pH 6; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 0.021 g/L | pH 7; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 0.17 g/L | pH 8; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 0.55 g/L | pH 9; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 0.69 g/L | pH 10; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 1.3 x 10-3 g/L | Uisce Neamh-mhaolaithe pH 5.73; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Intreach Molar | 2.1 x 10-7 mol/L | Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 2.1 x 10-7 mol/L | pH 1; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 2.1 x 10-7 mol/L | pH 2; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 2.1 x 10-7 mol/L | pH 3; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 2.4 x 10-7 mol/L | pH 4; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 5.5 x 10-7 mol/L | pH 5; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 3.6 x 10-6 mol/L | pH 6; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 3.4 x 10-5 mol/L | pH 7; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 2.7 x 10-4 mol/L | pH 8; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 8.7 x 10-4 mol/L | pH 9; Teocht: 25 °C | (1) ACD |
| Maoin | Luach | Coinníoll | Foinse |
| Tuaslagthacht Molar | 1.1 x 10-3 mol/L | pH 10; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 2.1 x 10-6 mol/L | Uisce Neamh-mhaolaithe pH 5.73; Teocht: 25 °C | (1) ACD |
| Meáchan Móilíneach | 631. 80 | ||
| pKa | 4.78±0.10 | Teocht is Airde: 25 °C | (1) ACD |
| pKa | -2.31±0.60 | Teocht is Bunúsaí: 25 °C | (1) ACD |
| Brú Gal | 1.42 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 | 1.154±0.06 g/cm3 | Teocht: 20 °C; Brúigh: 760 Torr | (1) ACD |
| Toirt Molar | 547.3±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 | 20 | (1) ACD | |
| H Glacadóirí | 8 | (1) ACD | |
| H Deontóirí | 2 | (1) ACD | |
| H Suim Deontóra/Ghlacadóir | 10 | (1) ACD | |
| logP | 7.397±0.598 | Teocht: 25 °C | (1) ACD |
| Meáchan Móilíneach | 631. 80 |
(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 | 106 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 | 779.4±60.0 °C | Brúigh: 760 Torr | (1) ACD |
| Eantalpacht Vaporization | 118.97±3.0 kJ/mól | Brúigh: 760 Torr | (1) ACD |
| Splancphointe | 425.2±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
![C42H52N5O9P Cítídín, N-aicéitil-5′ -O- [bis(4-methocsaifeinil)feinilmeitil]-2′ -O- meitile-, 3′ – [2-chianoethyl N,N-bis(1-meitileitil)fosfaraimít] ( ACI)](https://cdn.globalso.com/nvchem/C42H52N5O9P-Cytidine-300x300.png)
![L-Ornithinamide, L-valyl-N5-(aimínacarbóin)-N-[4-(hiodrocsaimeitil) feinil]- (9CI, ACI) H335, H319, H315, H302](https://cdn.globalso.com/nvchem/L-Ornithinamide-300x300.jpg)
![C30H29FN2O7 Uridín, 5′-O-[bis(4-methocsaifeinil)feanilmheitil]-2′-déocsa-2′- fluara- (9CI, ACI)](https://cdn.globalso.com/nvchem/C30H29FN2O7-Uridine-300x300.jpg)
![C33H39N5O6 L-Ornithinamide, N-[(9H-fluoren-9-ilmethoxy)carbóinil]-L-valyl-N5- (aimínacarbóin)-N-[4-(hiodrocsaimeitil)feinil]- (9CI, ACI)](https://cdn.globalso.com/nvchem/C33H39N5O6-L-Ornithinamide-300x300.jpg)
![C44H49N5O7Si Adenosine, N-benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′- O-[(1,1-démheitileitil)démheitilsil]- (9CI, ACI)](https://cdn.globalso.com/nvchem/C44H49N5O7Si-Adenosine-300x300.jpg)
![Guanóisín C47H60N7O10P, 5′ -O- [bis(4-methocsaifeinil)feinilmeitil]-2′ -O-(2- meatocsaitil)-N-(2-meitil-1-ocsaeapróipil)-,3′ – [2-cianoethyl N ,N-bis (1-meitileitil)fosfaraimídít] (ACI)](https://cdn.globalso.com/nvchem/C47H60N7O10P-Guanosine-300x300.png)